4-(4-methoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204733
• Molecular Formular: C28H27NO7
• Molecular Mass: 489.51648
• Monoisotopic Mass: 489.17875221
• SMILES: c12c3c(OCN(C3)Cc3cc(c(c(c3)OC)OC)OC)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)Cc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C28H27NO7/c1-31-19-7-5-18(6-8-19)21-13-26(30)36-27-20(21)9-10-23-22(27)15-29(16-35-23)14-17-11-24(32-2)28(34-4)25(12-17)33-3/h5-13H,14-16H2,1-4H3
• InChIKey: SEYUZPBBAGHEEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-(4-methoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methyl]-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164260643
• PubChem CID: 1770186

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.020459
• LogD (pH = 7.4): 4.032492
• Log P: 4.0326476
• Molar Refractivity: 143.4131 cm^3
• Polarizability: 51.947453 Å^3
• Polar Surface Area: 75.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds