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ZINC00881264,ASN 03432383,N-(2,5-Dimethoxy-phenyl)-2-(3,6,8-trimethyl-

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摘 要:ZINC00881264,ASN 03432383,N-(2,5-Dimethoxy-phenyl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide, N-(2,5-dimethoxyphenyl)-2-(3,6,,8-trimethylquinolin-2-yl)sulfanylacetamide,Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC
[Synonyms]
ZINC00881264
ASN 03432383
N-(2,5-Dimethoxy-phenyl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide

[Structure]
ZINC00881264,ASN 03432383,N-(2,5-Dimethoxy-phenyl)-2-(3,6,8-trimethyl-

[ Properties Computed from Structure]
Molecular Weight396.50256 [g/mol]
Molecular FormulaC22H24N2O3S
XLogP4.1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass396.150763
MonoIsotopic Mass396.150763
Topological Polar Surface Area60.5
Heavy Atom Count28
Formal Charge0
Complexity520
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-(2,5-dimethoxyphenyl)-2-(3,6,
8-trimethylquinolin-2-yl)sulfanylacetamide
Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC)C)C
InChI: InChI=1/C22H24N2O3S/c1-13-8-14(2)21-16(9-13)10-15(3)22(24-21)28-12-20
(25)23-18-11-17(26-4)6-7-19(18)27-5/h6-11H,12H2,1-5H3,(H,23,25)/f/h23H

 
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