10-methyl-3-(4-phenoxyphenyl)-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 206824
• Molecular Formular: C30H23NO4
• Molecular Mass: 461.50792
• Monoisotopic Mass: 461.16270822
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(Oc3ccccc3)cc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C30H23NO4/c1-20-29-22(16-27-26(17-28(32)35-30(20)27)21-8-4-2-5-9-21)18-31(19-33-29)23-12-14-25(15-13-23)34-24-10-6-3-7-11-24/h2-17H,18-19H2,1H3
• InChIKey: XAFXTVHZGSECGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-3-(4-phenoxyphenyl)-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 10-methyl-3-(4-phenoxyphenyl)-6-phenyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164262734
• PubChem CID: 1777303

CALCULATED PROPERTIES

• Polarizability: 51.746986 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.8436885
• LogD (pH = 7.4): 6.8436885
• Log P: 6.8436885
• Molar Refractivity: 144.7282 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds