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

• ChemBase ID: 204478
• Molecular Formular: C32H27NO4
• Molecular Mass: 489.56108
• Monoisotopic Mass: 489.19400835
• SMILES: c12c3c(OCN(C3)CC(c3ccccc3)c3ccccc3)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H27NO4/c1-35-25-14-12-24(13-15-25)27-18-31(34)37-32-26(27)16-17-30-29(32)20-33(21-36-30)19-28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,28H,19-21H2,1H3
• InChIKey: YFYZJFZWAHHCRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260388
• PubChem CID: 1768839

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.4702806
• LogD (pH = 7.4): 6.263207
• Log P: 6.2930994
• Molar Refractivity: 153.3451 cm^3
• Polarizability: 55.769478 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds