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Oprea1_277361,ZINC00924402,ASN 03221348,N-(2,6-Dimethyl-phenyl)-2-(3,5

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摘 要:Oprea1_277361,ZINC00924402,ASN 03221348,N-(2,6-Dimethyl-phenyl)-2-(3,5,7-trimethyl-quinolin-2-ylsulfanyl)-acetamide, N-(2,6-dimethylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide,Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C=C3C(=CC(=C
[Synonyms]
Oprea1_277361
ZINC00924402
ASN 03221348
N-(2,6-Dimethyl-phenyl)-2-(3,5,7-trimethyl-quinolin-2-ylsulfanyl)-acetamide

[Structure]
Oprea1_277361,ZINC00924402,ASN 03221348,N-(2,6-Dimethyl-phenyl)-2-(3,5

[ Properties Computed from Structure]
Molecular Weight364.50376 [g/mol]
Molecular FormulaC22H24N2OS
XLogP5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass364.160934
MonoIsotopic Mass364.160934
Topological Polar Surface Area42
Heavy Atom Count26
Formal Charge0
Complexity475
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: N-(2,6-dimethylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C
InChI: InChI=1/C22H24N2OS/c1-13-9-16(4)18-11-17(5)22(23-19(18)10-13)26-12-20
(25)24-21-14(2)7-6-8-15(21)3/h6-11H,12H2,1-5H3,(H,24,25)/f/h24H

 
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