ChemSpider 2D Image | 7-Chloro-1-[2-(diethylammonio)ethyl]-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-ium | C21H25ClFN3O

7-Chloro-1-[2-(diethylammonio)ethyl]-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-ium

  • Molecular FormulaC21H25ClFN3O
  • Average mass389.893 Da
  • Monoisotopic mass389.165924 Da
  • ChemSpider ID21258722

  • Charge - Charge

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-, conjugate diacid [ACD/Index Name]
7-Chlor-1-[2-(diethylammonio)ethyl]-5-(2-fluorphenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-ium [German] [ACD/IUPAC Name]
7-Chloro-1-[2-(diethylammonio)ethyl]-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-ium [ACD/IUPAC Name]
7-Chloro-1-[2-(diéthylammonio)éthyl]-5-(2-fluorophényl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-4-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 9.05
Polar Surface Area: 39 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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