ChemSpider 2D Image | 8-Chloro-6-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | C27H25ClN6

8-Chloro-6-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

  • Molecular FormulaC27H25ClN6
  • Average mass468.981 Da
  • Monoisotopic mass468.182922 Da
  • ChemSpider ID23209086

More details:






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

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]- [ACD/Index Name]
8-Chlor-6-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-phényl-1-[(4-phényl-1-pipérazinyl)méthyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
8-chloro-6-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
8-Chloro-6-phenyl-1-(4-phenyl-piperazin-1-ylmethyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 666.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 47.56
ACD/KOC (pH 5.5): 346.55
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.76
ACD/KOC (pH 7.4): 1696.16
Polar Surface Area: 50 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

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