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

• ChemBase ID: 207152
• Molecular Formular: C27H25NO4
• Molecular Mass: 427.4917
• Monoisotopic Mass: 427.17835829
• SMILES: c12c3c(OCN(C3)CC(c3ccccc3)C)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)CC(c1ccccc1)C
• InChI: InChI=1S/C27H25NO4/c1-18(19-6-4-3-5-7-19)15-28-16-24-25(31-17-28)13-12-22-23(14-26(29)32-27(22)24)20-8-10-21(30-2)11-9-20/h3-14,18H,15-17H2,1-2H3
• InChIKey: WKMULFHPVVXFFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263062
• PubChem CID: 3824245

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6622653
• LogD (pH = 7.4): 5.1477385
• Log P: 5.1592956
• Molar Refractivity: 133.2501 cm^3
• Polarizability: 47.99993 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds