4-(2-phenylethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

• ChemBase ID: 703653
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: N1(c2c(OCC1=O)cccn2)CCc1ccccc1
• Canonical SMILES: O=C1COc2c(N1CCc1ccccc1)nccc2
• InChI: InChI=1S/C15H14N2O2/c18-14-11-19-13-7-4-9-16-15(13)17(14)10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2
• InChIKey: RGGCRJUSOOOBAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
• IUPAC Traditional name: 4-(2-phenylethyl)-2H-pyrido[3,2-b][1,4]oxazin-3-one
• Synonyms: 4-(2-phenylethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0082898
• LogD (pH = 7.4): 2.0085955
• Log P: 2.0085995
• Molar Refractivity: 71.4652 cm^3
• Polarizability: 27.536345 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.82
• LOG S: -2.61
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3