ChemSpider 2D Image | 7-Amino-5-(2-fluorophenyl)-1-(~2~H_3_)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H11D3FN3O

7-Amino-5-(2-fluorophenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H11D3FN3O
  • Average mass286.319 Da
  • Monoisotopic mass286.130920 Da
  • ChemSpider ID78057674

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-(methyl-d3)- [ACD/Index Name]
7-Amino-5-(2-fluorophenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Amino-5-(2-fluorophényl)-1-(2H3)méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-Amino-5-(2-fluorphenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 78.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 145.54
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 148.77
Polar Surface Area: 59 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 216.2±7.0 cm3

Click to predict properties on the Chemicalize site


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