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

• ChemBase ID: 206452
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-3-18-14-24(28)31-26-17(2)25-19(13-23(18)26)15-27(16-29-25)20-9-11-22(12-10-20)30-21-7-5-4-6-8-21/h4-14H,3,15-16H2,1-2H3
• InChIKey: JRVCGOMFOHBFEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262362
• PubChem CID: 1775607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1544533
• LogD (pH = 7.4): 6.1544533
• Log P: 6.1544533
• Molar Refractivity: 120.0585 cm^3
• Polarizability: 45.83295 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