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

• ChemBase ID: 207107
• Molecular Formular: C31H25NO5
• Molecular Mass: 491.5339
• Monoisotopic Mass: 491.17327291
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(Oc3ccccc3)cc2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C31H25NO5/c1-20-30-22(16-28-27(17-29(33)37-31(20)28)21-8-12-24(34-2)13-9-21)18-32(19-35-30)23-10-14-26(15-11-23)36-25-6-4-3-5-7-25/h3-17H,18-19H2,1-2H3
• InChIKey: ORIXNAFVJVMRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263017
• PubChem CID: 1778062

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.686017
• LogD (pH = 7.4): 6.686017
• Log P: 6.686017
• Molar Refractivity: 151.1914 cm^3
• Polarizability: 54.253033 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds