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ZINC00843029 (2R)-2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one,

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摘 要:ZINC00843029 (2R)-2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one,Canonical SMILES: CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)F,Isomeric SMILES: CN1[C@H](N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)F,InChI: InChI=1/C16H15FN2O/c1-18-14-6-4-3-5-13(14)16(20)19
[Synonyms]
ZINC00843029
[Structure]
ZINC00843029 (2R)-2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one,

[ Properties Computed from Structure]
Molecular Weight270.301503 [g/mol]
Molecular FormulaC16H15FN2O
XLogP3.7
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass270.116841
MonoIsotopic Mass270.116841
Topological Polar Surface Area23.6
Heavy Atom Count20
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
Canonical SMILES: CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)F
Isomeric SMILES: CN1[C@H](N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)F
InChI: InChI=1/C16H15FN2O/c1-18-14-6-4-3-5-13(14)16(20)19(2)15(18)11-7-9-12(17)
10-8-11/h3-10,15H,1-2H3/t15-/m1/s1

 
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