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ZINC02983640,,, :Molecular Weight470.60424 [g/mol]Molecular FormulaC

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摘 要:ZINC02983640,,, :Molecular Weight470.60424 [g/mol]Molecular FormulaC24H26N2O4S2XLogP5.3H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count11Tautomer Count2Exact Mass470.133399MonoIsotopic Mass470.133399Topological Polar Surface Area75.7Heavy Atom Cou
[Synonyms]
ZINC02983640


Properties Computed from Structure:Molecular Weight470.60424 [g/mol]Molecular FormulaC24H26N2O4S2XLogP5.3H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count11Tautomer Count2Exact Mass470.133399MonoIsotopic Mass470.133399Topological Polar Surface Area75.7Heavy Atom Count32Formal Charge0Complexity647Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 2-[(4-ethoxyphenyl)-phenylsulfonylamino]-N-(2-phenylsulfanylethyl)
acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C24H26N2O4S2/c1-2-30-21-15-13-20(14-16-21)26(32(28,
29)23-11-7-4-8-12-23)19-24(27)25-17-18-31-22-9-5-3-6-10-22/h3-16H,2,
17-19H2,1H3,(H,25,27)/f/h25H


Compound Info:CID: 2282901  Create Date: 2005-07-15

Similar Compounds: 473 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8992627 - External ID: 2282901

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3470162 - External ID: 6437027
   ChemSpider ( 1 )
SID: 29782762 - External ID: 1706582
   ZINC ( 1 )
SID: 2694719 - External ID: ZINC02983640

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 5179448 - External ID: 4370544
   ZINC ( 1 )
SID: 2694719 - External ID: ZINC02983640

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2282901Molecular Weight470.60424 [g/mol]Molecular FormulaC24H26N2O4S2XLogP5.3H-Bond Donor1H-Bond Acceptor5  Links
Chemical Structure Search

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[Structure]
ZINC02983640,,,   :Molecular Weight470.60424 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight470.60424 [g/mol]
Molecular FormulaC24H26N2O4S2
XLogP5.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count11
Tautomer Count2
Exact Mass470.133399
MonoIsotopic Mass470.133399
Topological Polar Surface Area75.7
Heavy Atom Count32
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[(4-ethoxyphenyl)-phenylsulfonylamino]-N-(2-phenylsulfanylethyl)
acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C24H26N2O4S2/c1-2-30-21-15-13-20(14-16-21)26(32(28,
29)23-11-7-4-8-12-23)19-24(27)25-17-18-31-22-9-5-3-6-10-22/h3-16H,2,
17-19H2,1H3,(H,25,27)/f/h25H

 
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