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

• ChemBase ID: 204020
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C25H21NO3/c1-16-8-10-20(11-9-16)26-14-19-12-22-21(18-6-4-3-5-7-18)13-23(27)29-25(22)17(2)24(19)28-15-26/h3-13H,14-15H2,1-2H3
• InChIKey: IKSCCHZQYSUOAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259930
• PubChem CID: 1767547

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8568225
• LogD (pH = 7.4): 5.8568225
• Log P: 5.8568225
• Molar Refractivity: 123.5286 cm^3
• Polarizability: 43.181644 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