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N-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide

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摘 要: N-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide,Canonical SMILES: CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N1CC4=CC(=CC=C4)Cl,InChI: InChI=1/C23H18ClN3O2/c1-15-25-21-11-10-19(26-22(28)17-7-3-2-4-8-17)13-20,(21)23(29)27(15)14-1
[Synonyms]

[Structure]
 N-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide

[ Properties Computed from Structure]
Molecular Weight403.86092 [g/mol]
Molecular FormulaC23H18ClN3O2
XLogP4.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass403.108755
MonoIsotopic Mass403.108755
Topological Polar Surface Area61.8
Heavy Atom Count29
Formal Charge0
Complexity646
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-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
Canonical SMILES: CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N1CC4=CC(=CC=C4)Cl
InChI: InChI=1/C23H18ClN3O2/c1-15-25-21-11-10-19(26-22(28)17-7-3-2-4-8-17)13-20
(21)23(29)27(15)14-16-6-5-9-18(24)12-16/h2-13H,14H2,1H3,(H,26,28)/f/h26H

 
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