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T0520-4713,,, :Molecular Weight472.45306 [g/mol]Molecular FormulaC23

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摘 要:T0520-4713,,, :Molecular Weight472.45306 [g/mol]Molecular FormulaC23H19Cl2N3S2XLogP6H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count6Tautomer Count4Exact Mass471.039744MonoIsotopic Mass471.039744Topological Polar Surface Area37.8Heavy Atom Count30
[Synonyms]
T0520-4713


Properties Computed from Structure:Molecular Weight472.45306 [g/mol]Molecular FormulaC23H19Cl2N3S2XLogP6H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count6Tautomer Count4Exact Mass471.039744MonoIsotopic Mass471.039744Topological Polar Surface Area37.8Heavy Atom Count30Formal Charge0Complexity563Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:Canonical SMILES: C1CC2=C(C1)SC3=NC(=NC(=C23)NCC4=CC(=CC=C4)Cl)CSC5=CC=C(C=C5)Cl
InChI: InChI=1/C23H19Cl2N3S2/c24-15-7-9-17(10-8-15)29-13-20-27-22(26-12-14-3-1-
4-16(25)11-14)21-18-5-2-6-19(18)30-23(21)28-20/h1,3-4,7-11H,2,5-6,
12-13H2,(H,26,27,28)/f/h26H


Compound Info:CID: 2406428  Create Date: 2005-07-15

Similar Compounds: 67 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9341671 - External ID: 2406428

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25221757 - External ID: T0520-4713
   ChemSpider ( 1 )
SID: 30607484 - External ID: 1796939

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7609323 - External ID: 5458100

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2406428Molecular Weight472.45306 [g/mol]Molecular FormulaC23H19Cl2N3S2XLogP6H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
T0520-4713,,,   :Molecular Weight472.45306 [g/mol]Molecular FormulaC23

[ Properties Computed from Structure]
Molecular Weight472.45306 [g/mol]
Molecular FormulaC23H19Cl2N3S2
XLogP6
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count4
Exact Mass471.039744
MonoIsotopic Mass471.039744
Topological Polar Surface Area37.8
Heavy Atom Count30
Formal Charge0
Complexity563
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]

 
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