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

• ChemBase ID: 205159
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2)C)C)CO3)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-16-9-10-23(17(2)11-16)27-14-20-12-22-21(19-7-5-4-6-8-19)13-24(28)30-26(22)18(3)25(20)29-15-27/h4-13H,14-15H2,1-3H3
• InChIKey: JZICHMQCZABGKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261069
• PubChem CID: 1772111

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.370244
• LogD (pH = 7.4): 6.370244
• Log P: 6.370244
• Molar Refractivity: 128.5698 cm^3
• Polarizability: 44.94752 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