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

• ChemBase ID: 423856
• Molecular Formular: C16H17N3O
• Molecular Mass: 267.32568
• Monoisotopic Mass: 267.13716218
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)C
• Canonical SMILES: CC(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C16H17N3O/c1-11(20)18-14-8-5-9-15-13(14)10-17-16(19-15)12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3,(H,18,20)
• InChIKey: XSIATRPPAIBGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• IUPAC Traditional name: N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• Synonyms: N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.359829
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2700315
• LogD (pH = 7.4): 2.2702582
• Log P: 2.270261
• Molar Refractivity: 87.8086 cm^3
• Polarizability: 30.264809 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.57
• LOG S: -3.32
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 2