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

• ChemBase ID: 204014
• Molecular Formular: C23H16ClNO3
• Molecular Mass: 389.83104
• Monoisotopic Mass: 389.08187106
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C23H16ClNO3/c24-16-6-8-17(9-7-16)25-13-20-21(27-14-25)11-10-18-19(12-22(26)28-23(18)20)15-4-2-1-3-5-15/h1-12H,13-14H2
• InChIKey: GFQRNQXLFWEGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259924
• PubChem CID: 1767532

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: 41.490147 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