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

• ChemBase ID: 207033
• Molecular Formular: C23H15Cl2NO3
• Molecular Mass: 424.2761
• Monoisotopic Mass: 423.04289871
• SMILES: c12c3CN(c4c(c(Cl)ccc4)Cl)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C23H15Cl2NO3/c24-18-7-4-8-19(22(18)25)26-12-17-20(28-13-26)10-9-15-16(11-21(27)29-23(15)17)14-5-2-1-3-6-14/h1-11H,12-13H2
• InChIKey: YEBRPWWEPDBUKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262943
• PubChem CID: 1777836

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0380692
• LogD (pH = 7.4): 6.0380692
• Log P: 6.0380692
• Molar Refractivity: 123.0558 cm^3
• Polarizability: 43.417118 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