7-benzyl-6,10-dimethyl-3-(2,4,6-trimethylphenyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 206929
• Molecular Formular: C29H29NO3
• Molecular Mass: 439.54546
• Monoisotopic Mass: 439.21474379
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(c2c(cc(cc2C)C)C)C1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C29H29NO3/c1-17-11-18(2)26(19(3)12-17)30-15-23-14-24-20(4)25(13-22-9-7-6-8-10-22)29(31)33-28(24)21(5)27(23)32-16-30/h6-12,14H,13,15-16H2,1-5H3
• InChIKey: WGIHHRGGQRGSNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262839
• PubChem CID: 1777598

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.7237844
• LogD (pH = 7.4): 7.7237844
• Log P: 7.7237844
• Molar Refractivity: 133.3934 cm^3
• Polarizability: 50.41097 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