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T5255161,,, :Molecular Weight378.412966 [g/mol]Molecular FormulaC20H

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摘 要:T5255161,,, :Molecular Weight378.412966 [g/mol]Molecular FormulaC20H24F2N2O3XLogP3.7H-Bond Donor1H-Bond Acceptor6Rotatable Bond Count8Tautomer Count2Exact Mass378.175499MonoIsotopic Mass378.175499Topological Polar Surface Area50.8Heavy Atom Count27
[Synonyms]
T5255161


Properties Computed from Structure:Molecular Weight378.412966 [g/mol]Molecular FormulaC20H24F2N2O3XLogP3.7H-Bond Donor1H-Bond Acceptor6Rotatable Bond Count8Tautomer Count2Exact Mass378.175499MonoIsotopic Mass378.175499Topological Polar Surface Area50.8Heavy Atom Count27Formal Charge0Complexity457Isotope 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-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,
5-dimethylphenyl)acetamide
Canonical SMILES: CC1=CC(=CC(=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC(F)F)OC)C
InChI: InChI=1/C20H24F2N2O3/c1-13-7-14(2)9-16(8-13)23-19(25)12-24(3)11-15-5-6-
17(27-20(21)22)18(10-15)26-4/h5-10,20H,11-12H2,1-4H3,(H,23,25)/f/h23H


Compound Info:CID: 2127683  Create Date: 2005-07-15

Similar Compounds: 973 Links


Substance Info:Substances:
    All: 6 Links
    Same structure: 4 Links
    Mixture: 2 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 10129557 - External ID: 2127683

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25244539 - External ID: T5255161
   ChemSpider ( 1 )
SID: 37090058 - External ID: 1594624

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 6337142 - External ID: 5541642

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2127683Molecular Weight378.412966 [g/mol]Molecular FormulaC20H24F2N2O3XLogP3.7H-Bond Donor1H-Bond Acceptor6  Links
Chemical Structure Search

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[Structure]
T5255161,,,   :Molecular Weight378.412966 [g/mol]Molecular FormulaC20H

[ Properties Computed from Structure]
Molecular Weight378.412966 [g/mol]
Molecular FormulaC20H24F2N2O3
XLogP3.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count2
Exact Mass378.175499
MonoIsotopic Mass378.175499
Topological Polar Surface Area50.8
Heavy Atom Count27
Formal Charge0
Complexity457
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-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,
5-dimethylphenyl)acetamide
Canonical SMILES: CC1=CC(=CC(=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC(F)F)OC)C
InChI: InChI=1/C20H24F2N2O3/c1-13-7-14(2)9-16(8-13)23-19(25)12-24(3)11-15-5-6-
17(27-20(21)22)18(10-15)26-4/h5-10,20H,11-12H2,1-4H3,(H,23,25)/f/h23H

 
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