ChemSpider 2D Image | 5-Cyclobutyl-7-fluoro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C14H15FN2O

5-Cyclobutyl-7-fluoro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC14H15FN2O
  • Average mass246.280 Da
  • Monoisotopic mass246.116837 Da
  • ChemSpider ID23239652

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-1,4-Benzodiazepin-2-one, 5-cyclobutyl-7-fluoro-1,3-dihydro-1-methyl- [ACD/Index Name]
5-Cyclobutyl-7-fluor-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
5-Cyclobutyl-7-fluoro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
5-Cyclobutyl-7-fluoro-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
5-Cyclobutyl-7-fluoro-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CHEMBL176307

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 442.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.4±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.18
ACD/KOC (pH 5.5): 230.79
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.49
ACD/KOC (pH 7.4): 235.85
Polar Surface Area: 33 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 187.3±7.0 cm3

Click to predict properties on the Chemicalize site


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