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ZINC00881263,ASN 03432371,N-(2-Methoxy-phenyl)-2-(3,6,8-trimethyl-quin

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摘 要:ZINC00881263,ASN 03432371,N-(2-Methoxy-phenyl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide, N-(2-methoxyphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide,Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C)C,InChI: InC
[Synonyms]
ZINC00881263
ASN 03432371
N-(2-Methoxy-phenyl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide

[Structure]
ZINC00881263,ASN 03432371,N-(2-Methoxy-phenyl)-2-(3,6,8-trimethyl-quin

[ Properties Computed from Structure]
Molecular Weight366.47658 [g/mol]
Molecular FormulaC21H22N2O2S
XLogP4.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass366.140199
MonoIsotopic Mass366.140199
Topological Polar Surface Area51.2
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-methoxyphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide
Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C)C
InChI: InChI=1/C21H22N2O2S/c1-13-9-14(2)20-16(10-13)11-15(3)21(23-20)26-12-19
(24)22-17-7-5-6-8-18(17)25-4/h5-11H,12H2,1-4H3,(H,22,24)/f/h22H

 
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