2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

• ChemBase ID: 340123
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CN1C(=O)OCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)c1ccccc1)CN1CCOC1=O
• InChI: InChI=1S/C19H20N4O3/c24-17(12-23-9-10-26-19(23)25)21-15-7-4-8-16-14(15)11-20-18(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,15H,4,7-10,12H2,(H,21,24)
• InChIKey: VQDVEBFEJKSPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• IUPAC Traditional name: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• Synonyms: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.604907
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9072506
• LogD (pH = 7.4): 1.9074775
• Log P: 1.9074806
• Molar Refractivity: 105.1634 cm^3
• Polarizability: 36.96993 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.64
• LOG S: -3.74
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 4