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

• ChemBase ID: 207106
• Molecular Formular: C24H17Cl2NO3
• Molecular Mass: 438.30268
• Monoisotopic Mass: 437.05854877
• SMILES: c12c3c(OCN(C3)Cc3c(cc(cc3)Cl)Cl)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)Cl)CN1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H17Cl2NO3/c25-17-7-6-16(21(26)10-17)12-27-13-20-22(29-14-27)9-8-18-19(11-23(28)30-24(18)20)15-4-2-1-3-5-15/h1-11H,12-14H2
• InChIKey: JAZBJCJJJVZJBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263016
• PubChem CID: 1778058

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8684616
• LogD (pH = 7.4): 5.8713846
• Log P: 5.8714223
• Molar Refractivity: 127.1699 cm^3
• Polarizability: 45.60436 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