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

• ChemBase ID: 205205
• Molecular Formular: C29H21NO4
• Molecular Mass: 447.48134
• Monoisotopic Mass: 447.14705816
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C29H21NO4/c31-28-17-25(20-7-3-1-4-8-20)24-15-16-27-26(29(24)34-28)18-30(19-32-27)21-11-13-23(14-12-21)33-22-9-5-2-6-10-22/h1-17H,18-19H2
• InChIKey: ZLMFPRCDWPPBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261115
• PubChem CID: 1772244

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.330267
• LogD (pH = 7.4): 6.330267
• Log P: 6.330267
• Molar Refractivity: 139.687 cm^3
• Polarizability: 49.979103 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds