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

• ChemBase ID: 204090
• Molecular Formular: C24H18ClNO3
• Molecular Mass: 403.85762
• Monoisotopic Mass: 403.09752112
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)Cl)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C24H18ClNO3/c1-15-23-17(13-26(14-28-23)19-9-7-18(25)8-10-19)11-21-20(12-22(27)29-24(15)21)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
• InChIKey: VBEDYBMUHCOXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260000
• PubChem CID: 1767743

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.947446
• LogD (pH = 7.4): 5.947446
• Log P: 5.947446
• Molar Refractivity: 123.2922 cm^3
• Polarizability: 43.256313 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds