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Oprea1_238714,STK008243,ZINC03002744, 4-(4-methoxy-2-methylphenyl)-N-(

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摘 要:Oprea1_238714,STK008243,ZINC03002744, 4-(4-methoxy-2-methylphenyl)-N-(3-methylsulfanylphenyl)butanamide,Canonical SMILES: CC1=C(C=CC(=C1)OC)CCCC(=O)NC2=CC(=CC=C2)SC,InChI: InChI=1/C19H23NO2S/c1-14-12-17(22-2)11-10-15(14)6-4-9-19(21)20-16-7-5-8-,18(13
[Synonyms]
Oprea1_238714
STK008243
ZINC03002744

[Structure]
Oprea1_238714,STK008243,ZINC03002744, 4-(4-methoxy-2-methylphenyl)-N-(

[ Properties Computed from Structure]
Molecular Weight329.45642 [g/mol]
Molecular FormulaC19H23NO2S
XLogP4.6
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count7
Tautomer Count2
Exact Mass329.14495
MonoIsotopic Mass329.14495
Topological Polar Surface Area38.3
Heavy Atom Count23
Formal Charge0
Complexity363
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: 4-(4-methoxy-2-methylphenyl)-N-(3-methylsulfanylphenyl)butanamide
Canonical SMILES: CC1=C(C=CC(=C1)OC)CCCC(=O)NC2=CC(=CC=C2)SC
InChI: InChI=1/C19H23NO2S/c1-14-12-17(22-2)11-10-15(14)6-4-9-19(21)20-16-7-5-8-
18(13-16)23-3/h5,7-8,10-13H,4,6,9H2,1-3H3,(H,20,21)/f/h20H

 
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