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

• ChemBase ID: 207548
• Molecular Formular: C24H18ClNO3
• Molecular Mass: 403.85762
• Monoisotopic Mass: 403.09752112
• SMILES: c12c3c(OCN(C3)Cc3cc(Cl)ccc3)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: Clc1cccc(c1)CN1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H18ClNO3/c25-18-8-4-5-16(11-18)13-26-14-21-22(28-15-26)10-9-19-20(12-23(27)29-24(19)21)17-6-2-1-3-7-17/h1-12H,13-15H2
• InChIKey: KFYJZBIYVDPBGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263458
• PubChem CID: 1780074

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.254664
• LogD (pH = 7.4): 5.2672153
• Log P: 5.2673774
• Molar Refractivity: 122.3651 cm^3
• Polarizability: 43.72786 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds