9-(4-methylphenyl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 189769
• Molecular Formular: C24H19NO3
• Molecular Mass: 369.41256
• Monoisotopic Mass: 369.13649347
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H19NO3/c1-16-7-9-18(10-8-16)25-14-21-22(27-15-25)12-11-19-20(13-23(26)28-24(19)21)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
• InChIKey: MXBVPRHULVIWGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4-methylphenyl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(4-methylphenyl)-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164245679
• PubChem CID: 1564226

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3434014
• LogD (pH = 7.4): 5.3434014
• Log P: 5.3434014
• Molar Refractivity: 118.4874 cm^3
• Polarizability: 41.413773 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds