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Oprea1_643600,ZINC00917196,ASN 02240945,2-(6-Ethoxy-2-phenyl-quinazoli

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摘 要:Oprea1_643600,ZINC00917196,ASN 02240945,2-(6-Ethoxy-2-phenyl-quinazolin-4-ylsulfanyl)-1-phenyl-ethanone, 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-1-phenylethanone,Canonical SMILES: CCOC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4,InChI: In
[Synonyms]
Oprea1_643600
ZINC00917196
ASN 02240945
2-(6-Ethoxy-2-phenyl-quinazolin-4-ylsulfanyl)-1-phenyl-ethanone

[Structure]
Oprea1_643600,ZINC00917196,ASN 02240945,2-(6-Ethoxy-2-phenyl-quinazoli

[ Properties Computed from Structure]
Molecular Weight400.4928 [g/mol]
Molecular FormulaC24H20N2O2S
XLogP5.3
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass400.124549
MonoIsotopic Mass400.124549
Topological Polar Surface Area52.1
Heavy Atom Count29
Formal Charge0
Complexity519
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-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-1-phenylethanone
Canonical SMILES: CCOC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C24H20N2O2S/c1-2-28-19-13-14-21-20(15-19)24(26-23(25-21)18-11-7-
4-8-12-18)29-16-22(27)17-9-5-3-6-10-17/h3-15H,2,16H2,1H3

 
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