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

• ChemBase ID: 316915
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)COc1ccccc1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)c1ccccc1)COc1ccccc1
• InChI: InChI=1S/C22H21N3O2/c26-21(15-27-17-10-5-2-6-11-17)24-19-12-7-13-20-18(19)14-23-22(25-20)16-8-3-1-4-9-16/h1-6,8-11,14,19H,7,12-13,15H2,(H,24,26)
• InChIKey: YRAISOLBARRDFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.272077
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.758171
• LogD (pH = 7.4): 3.758397
• Log P: 3.7584004
• Molar Refractivity: 113.7707 cm^3
• Polarizability: 40.540203 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.32
• LOG S: -4.87
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5