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

• ChemBase ID: 204106
• Molecular Formular: C30H23NO5
• Molecular Mass: 477.50732
• Monoisotopic Mass: 477.15762284
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C30H23NO5/c1-33-22-11-7-20(8-12-22)26-17-29(32)36-30-25(26)15-16-28-27(30)18-31(19-34-28)21-9-13-24(14-10-21)35-23-5-3-2-4-6-23/h2-17H,18-19H2,1H3
• InChIKey: IPUZPTWBVVWGOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260016
• PubChem CID: 1767791

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.172596
• LogD (pH = 7.4): 6.172596
• Log P: 6.172596
• Molar Refractivity: 146.1502 cm^3
• Polarizability: 52.48576 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds