ChemSpider 2D Image | (2Z)-6-(2-Fluorophenyl)-2-[(4-methyl-1-piperazinyl)methylene]-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one | C23H21FN6O3

(2Z)-6-(2-Fluorophenyl)-2-[(4-methyl-1-piperazinyl)methylene]-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one

  • Molecular FormulaC23H21FN6O3
  • Average mass448.450 Da
  • Monoisotopic mass448.165924 Da
  • ChemSpider ID34243184

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-(2-Fluorophenyl)-2-[(4-methyl-1-piperazinyl)methylene]-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one [ACD/IUPAC Name]
(2Z)-6-(2-Fluorophényl)-2-[(4-méthyl-1-pipérazinyl)méthylène]-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazépin-1-one [French] [ACD/IUPAC Name]
(2Z)-6-(2-Fluorphenyl)-2-[(4-methyl-1-piperazinyl)methylen]-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-on [German] [ACD/IUPAC Name]
1H-Imidazo[1,2-a][1,4]benzodiazepin-1-one, 6-(2-fluorophenyl)-2,4-dihydro-2-[(4-methyl-1-piperazinyl)methylene]-8-nitro-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.10
ACD/KOC (pH 7.4): 146.65
Polar Surface Area: 97 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 306.4±7.0 cm3

Click to predict properties on the Chemicalize site


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