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

• ChemBase ID: 204881
• Molecular Formular: C31H25NO5
• Molecular Mass: 491.5339
• Monoisotopic Mass: 491.17327291
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C31H25NO5/c1-34-24-11-7-22(8-12-24)27-17-30(33)37-31-26(27)15-16-29-28(31)18-32(20-36-29)23-9-13-25(14-10-23)35-19-21-5-3-2-4-6-21/h2-17H,18-20H2,1H3
• InChIKey: GQPZCKVSOGPQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260791
• PubChem CID: 1771222

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.2391105
• LogD (pH = 7.4): 6.2391105
• Log P: 6.2391105
• Molar Refractivity: 150.9852 cm^3
• Polarizability: 54.267105 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds