4-phenyl-9-(2-phenylpropyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 207708
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c3c(OCN(C3)CC(c3ccccc3)C)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)CC(c1ccccc1)C
• InChI: InChI=1S/C26H23NO3/c1-18(19-8-4-2-5-9-19)15-27-16-23-24(29-17-27)13-12-21-22(14-25(28)30-26(21)23)20-10-6-3-7-11-20/h2-14,18H,15-17H2,1H3
• InChIKey: OBMMOYQNGILDMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-9-(2-phenylpropyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-phenyl-9-(2-phenylpropyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164263618
• PubChem CID: 4366600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8267565
• LogD (pH = 7.4): 5.3056707
• Log P: 5.316967
• Molar Refractivity: 126.7869 cm^3
• Polarizability: 45.499123 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds