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

• ChemBase ID: 205725
• Molecular Formular: C24H19NO3
• Molecular Mass: 369.41256
• Monoisotopic Mass: 369.13649347
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1c(C)cccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccccc1C
• InChI: InChI=1S/C24H19NO3/c1-16-7-5-6-10-21(16)25-14-20-22(27-15-25)12-11-18-19(13-23(26)28-24(18)20)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
• InChIKey: LJCASSVDOMIIIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261635
• PubChem CID: 1774673

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: 41.41472 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