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

• ChemBase ID: 204819
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c(c(c3c(c2)CN(CO3)c2c(C)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1)c1ccccc1)c1ccccc1C
• InChI: InChI=1S/C25H21NO3/c1-16-8-6-7-11-22(16)26-14-19-12-21-20(18-9-4-3-5-10-18)13-23(27)29-25(21)17(2)24(19)28-15-26/h3-13H,14-15H2,1-2H3
• InChIKey: DBROWRAMHARJIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260729
• PubChem CID: 1770487

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: 43.18259 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