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Oprea1_462094,ASN 02240980,N-(4-Ethoxy-phenyl)-2-(6-methoxy-2-phenyl-q

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摘 要:Oprea1_462094,ASN 02240980,N-(4-Ethoxy-phenyl)-2-(6-methoxy-2-phenyl-quinazolin-4-ylsulfanyl)-acetamide, N-(4-ethoxyphenyl)-2-(6-methoxy-2-phenylquinazolin-4-yl),sulfanylacetamide,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)OC)C4=
[Synonyms]
Oprea1_462094
ASN 02240980
N-(4-Ethoxy-phenyl)-2-(6-methoxy-2-phenyl-quinazolin-4-ylsulfanyl)-acetamide

[Structure]
Oprea1_462094,ASN 02240980,N-(4-Ethoxy-phenyl)-2-(6-methoxy-2-phenyl-q

[ Properties Computed from Structure]
Molecular Weight445.53342 [g/mol]
Molecular FormulaC25H23N3O3S
XLogP4.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count2
Exact Mass445.146012
MonoIsotopic Mass445.146012
Topological Polar Surface Area73.3
Heavy Atom Count32
Formal Charge0
Complexity581
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-(4-ethoxyphenyl)-2-(6-methoxy-2-phenylquinazolin-4-yl)
sulfanylacetamide
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4
InChI: InChI=1/C25H23N3O3S/c1-3-31-19-11-9-18(10-12-19)26-23(29)16-32-25-21-15-
20(30-2)13-14-22(21)27-24(28-25)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,
26,29)/f/h26H

 
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