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

• ChemBase ID: 203984
• Molecular Formular: C23H16ClNO3
• Molecular Mass: 389.83104
• Monoisotopic Mass: 389.08187106
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1c(Cl)cccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccccc1Cl
• InChI: InChI=1S/C23H16ClNO3/c24-19-8-4-5-9-20(19)25-13-18-21(27-14-25)11-10-16-17(12-22(26)28-23(16)18)15-6-2-1-3-7-15/h1-12H,13-14H2
• InChIKey: KKQNVZNSBWSFIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259894
• PubChem CID: 1767431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.434025
• LogD (pH = 7.4): 5.434025
• Log P: 5.434025
• Molar Refractivity: 118.251 cm^3
• Polarizability: 41.50608 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