7-chloro-1-[(dimethylphosphoryl)methyl]-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

• ChemBase ID: 130367
• Molecular Formular: C18H18ClN2O2P
• Molecular Mass: 360.774481
• Monoisotopic Mass: 360.07944214
• SMILES: Clc1cc2c(cc1)N(CP(=O)(C)C)C(=O)CN=C2c1ccccc1
• Canonical SMILES: Clc1ccc2c(c1)C(=NCC(=O)N2CP(=O)(C)C)c1ccccc1
• InChI: InChI=1S/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
• InChIKey: JMYCGCXYZZHWMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1-[(dimethylphosphoryl)methyl]-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
• IUPAC Traditional name: fosazepam
• Synonyms: Fosazepam

Database IDs

• CAS Number: 35322-07-7
• PubChem SID: 162224646
• PubChem CID: 37114
• Chemspider ID: 34056
• KEGG ID: D04248
• Unique Ingredient Identifier: 13AK3H33SG
• Wikipedia Title: Fosazepam

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.566522
• LogD (pH = 7.4): 1.5686038
• Log P: 1.5686303
• Molar Refractivity: 97.0696 cm^3
• Polarizability: 37.294098 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true