ChemSpider 2D Image | 8-Chloro-6-(2-chlorophenyl)-2-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one | C25H28Cl2N6O2

8-Chloro-6-(2-chlorophenyl)-2-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one

  • Molecular FormulaC25H28Cl2N6O2
  • Average mass515.435 Da
  • Monoisotopic mass514.165100 Da
  • ChemSpider ID23209416

More details:

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

1H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepin-1-one, 8-chloro-6-(2-chlorophenyl)-2,4-dihydro-2-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]- [ACD/Index Name]
8-Chlor-6-(2-chlorphenyl)-2-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-on [German] [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophenyl)-2-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophényl)-2-{3-[4-(2-hydroxyéthyl)-1-pipérazinyl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-1-one [French] [ACD/IUPAC Name]
8-chloro-6-(2-chlorophenyl)-2-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-2,4-dihydro-1H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one
8-Chloro-6-(2-chloro-phenyl)-2-{3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propyl}-2,4-dihydro-2,3,5,10b-tetraaza-benzo[e]azulen-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.2±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 119.36
Polar Surface Area: 75 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 357.8±7.0 cm3

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