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Oprea1_752062,ZINC00920332, 2-methylsulfonyl-3-phenylquinazolin-4-one,

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摘 要:Oprea1_752062,ZINC00920332, 2-methylsulfonyl-3-phenylquinazolin-4-one,Canonical SMILES: CS(=O)(=O)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3,InChI: InChI=1/C15H12N2O3S/c1-21(19,,20)15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3,Molecular Weigh
[Synonyms]
Oprea1_752062
ZINC00920332

[Structure]
Oprea1_752062,ZINC00920332, 2-methylsulfonyl-3-phenylquinazolin-4-one,

[ Properties Computed from Structure]
Molecular Weight300.33238 [g/mol]
Molecular FormulaC15H12N2O3S
XLogP1.9
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count2
Exact Mass300.056863
MonoIsotopic Mass300.056863
Topological Polar Surface Area66.8
Heavy Atom Count21
Formal Charge0
Complexity544
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-methylsulfonyl-3-phenylquinazolin-4-one
Canonical SMILES: CS(=O)(=O)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI: InChI=1/C15H12N2O3S/c1-21(19,
20)15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3

 
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