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

• ChemBase ID: 204907
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c3CN(COc3ccc2c(c(c(=O)o1)C)C)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1C)C)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-17-18(2)26(28)31-25-22(17)12-13-24-23(25)14-27(16-30-24)20-8-10-21(11-9-20)29-15-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3
• InChIKey: GBHVKRGCBUACJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260817
• PubChem CID: 1771313

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.6585283
• LogD (pH = 7.4): 5.6585283
• Log P: 5.6585283
• Molar Refractivity: 119.6084 cm^3
• Polarizability: 45.846916 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