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Oprea1_123862,ZINC00924410,ASN 03221423,N-(2-Ethoxy-phenyl)-2-(3,5,7-t

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摘 要:Oprea1_123862,ZINC00924410,ASN 03221423,N-(2-Ethoxy-phenyl)-2-(3,5,7-trimethyl-quinolin-2-ylsulfanyl)-acetamide, N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide,Canonical SMILES: CCOC1=CC=CC=C1NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C
[Synonyms]
Oprea1_123862
ZINC00924410
ASN 03221423
N-(2-Ethoxy-phenyl)-2-(3,5,7-trimethyl-quinolin-2-ylsulfanyl)-acetamide

[Structure]
Oprea1_123862,ZINC00924410,ASN 03221423,N-(2-Ethoxy-phenyl)-2-(3,5,7-t

[ Properties Computed from Structure]
Molecular Weight380.50316 [g/mol]
Molecular FormulaC22H24N2O2S
XLogP4.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass380.155849
MonoIsotopic Mass380.155849
Topological Polar Surface Area51.2
Heavy Atom Count27
Formal Charge0
Complexity489
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-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
Canonical SMILES: CCOC1=CC=CC=C1NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C
InChI: InChI=1/C22H24N2O2S/c1-5-26-20-9-7-6-8-18(20)23-21(25)13-27-22-16(4)12-
17-15(3)10-14(2)11-19(17)24-22/h6-12H,5,13H2,1-4H3,(H,23,25)/f/h23H

 
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