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

• ChemBase ID: 205289
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(CO3)c2c(CC)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: CCc1ccccc1N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-3-18-9-7-8-12-23(18)27-15-20-13-22-21(19-10-5-4-6-11-19)14-24(28)30-26(22)17(2)25(20)29-16-27/h4-14H,3,15-16H2,1-2H3
• InChIKey: MIELUZFIORQKCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261199
• PubChem CID: 1772577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.301391
• LogD (pH = 7.4): 6.301391
• Log P: 6.301391
• Molar Refractivity: 128.1296 cm^3
• Polarizability: 45.026283 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds