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ZINC02618766,T5258250, 2-(2,,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrr

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摘 要:ZINC02618766,T5258250, 2-(2,,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide,Canonical SMILES: CC1=CC(=C(C=C1)SCC(=O)NCCCN2CCCC2=O)C,InChI: InChI=1/C17H24N2O2S/c1-13-6-7-15(14(2)11-13)22-12-16(20)18-8-4-10-19-9-,3-5-17(19)21/h6-
[Synonyms]
ZINC02618766
T5258250

[Structure]
ZINC02618766,T5258250, 2-(2,,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrr

[ Properties Computed from Structure]
Molecular Weight320.44966 [g/mol]
Molecular FormulaC17H24N2O2S
XLogP2.3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count7
Tautomer Count4
Exact Mass320.155849
MonoIsotopic Mass320.155849
Topological Polar Surface Area49.4
Heavy Atom Count22
Formal Charge0
Complexity389
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-(2,
4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Canonical SMILES: CC1=CC(=C(C=C1)SCC(=O)NCCCN2CCCC2=O)C
InChI: InChI=1/C17H24N2O2S/c1-13-6-7-15(14(2)11-13)22-12-16(20)18-8-4-10-19-9-
3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20)/f/h18H

 
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