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

• ChemBase ID: 774349
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CN
• Canonical SMILES: NCC(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C16H18N4O/c17-9-15(21)19-13-7-4-8-14-12(13)10-18-16(20-14)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9,17H2,(H,19,21)
• InChIKey: YCJHVTIUJLKUSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.845193
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.176553
• LogD (pH = 7.4): 0.5506613
• Log P: 1.3607678
• Molar Refractivity: 91.1683 cm^3
• Polarizability: 31.789795 Å^3
• Polar Surface Area: 80.9 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: 1.98
• LOG S: -2.95
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3