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

• ChemBase ID: 203990
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H19NO4/c1-27-18-9-7-17(8-10-18)25-14-21-22(28-15-25)12-11-19-20(13-23(26)29-24(19)21)16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
• InChIKey: CEWVVOTZXUEIQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259900
• PubChem CID: 1767453

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6723084
• LogD (pH = 7.4): 4.6723084
• Log P: 4.6723084
• Molar Refractivity: 119.9094 cm^3
• Polarizability: 42.156822 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds