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

• ChemBase ID: 204360
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)CC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: CCc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-3-18-9-11-21(12-10-18)27-15-20-13-23-22(19-7-5-4-6-8-19)14-24(28)30-26(23)17(2)25(20)29-16-27/h4-14H,3,15-16H2,1-2H3
• InChIKey: DJPSDAPLVUPIMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260270
• PubChem CID: 1768515

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: 45.02531 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