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ZINC00648339,BAS 01906958,AG-690/40750498,2-(8-Ethyl-2-phenyl-quinazol

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摘 要:ZINC00648339,BAS 01906958,AG-690/40750498,2-(8-Ethyl-2-phenyl-quinazolin-4-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide, 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide,Canonical SMILES: CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC=C(C=
[Synonyms]
ZINC00648339
BAS 01906958
AG-690/40750498
2-(8-Ethyl-2-phenyl-quinazolin-4-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide

[Structure]
ZINC00648339,BAS 01906958,AG-690/40750498,2-(8-Ethyl-2-phenyl-quinazol

[ Properties Computed from Structure]
Molecular Weight429.53402 [g/mol]
Molecular FormulaC25H23N3O2S
XLogP5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass429.151098
MonoIsotopic Mass429.151098
Topological Polar Surface Area64.1
Heavy Atom Count31
Formal Charge0
Complexity563
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-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
Canonical SMILES: CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI: InChI=1/C25H23N3O2S/c1-3-17-10-7-11-21-23(17)27-24(18-8-5-4-6-9-18)28-25
(21)31-16-22(29)26-19-12-14-20(30-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,26,
29)/f/h26H

 
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