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

• ChemBase ID: 204858
• Molecular Formular: C27H25NO3
• Molecular Mass: 411.4923
• Monoisotopic Mass: 411.18344367
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2C)C)C)CO3)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C27H25NO3/c1-16-10-17(2)25(18(3)11-16)28-14-21-12-23-22(20-8-6-5-7-9-20)13-24(29)31-27(23)19(4)26(21)30-15-28/h5-13H,14-15H2,1-4H3
• InChIKey: LLRANUYGWAISAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260768
• PubChem CID: 1770607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.8836656
• LogD (pH = 7.4): 6.8836656
• Log P: 6.8836656
• Molar Refractivity: 133.611 cm^3
• Polarizability: 46.713432 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