2-hydroxy-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)benzamide

• ChemBase ID: 655544
• Molecular Formular: C21H19N3O2
• Molecular Mass: 345.39446
• Monoisotopic Mass: 345.14772686
• SMILES: C(=O)(c1c(O)cccc1)NC1c2c(nc(nc2)c2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccccc1O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C21H19N3O2/c25-19-12-5-4-9-15(19)21(26)24-18-11-6-10-17-16(18)13-22-20(23-17)14-7-2-1-3-8-14/h1-5,7-9,12-13,18,25H,6,10-11H2,(H,24,26)
• InChIKey: QOWWVIQECZJNKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)benzamide
• IUPAC Traditional name: 2-hydroxy-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)benzamide
• Synonyms: 2-hydroxy-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.187458
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.369324
• LogD (pH = 7.4): 4.3051243
• Log P: 4.37044
• Molar Refractivity: 110.46 cm^3
• Polarizability: 38.403133 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.09
• LOG S: -4.63
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3