ChemSpider 2D Image | N-{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide | C23H25ClN8O5

N-{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide

  • Molecular FormulaC23H25ClN8O5
  • Average mass528.948 Da
  • Monoisotopic mass528.163635 Da
  • ChemSpider ID123889337

More details:

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

Benzamide, N-[3-[4-(3-chlorophenyl)-1-piperazinyl]-1-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]-3,5-dinitro- [ACD/Index Name]
N-{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-{3-[4-(3-Chlorophényl)-1-pipérazinyl]-1-(2-méthyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
N-{3-[4-(3-Chlorphenyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamid [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 733.89
ACD/KOC (pH 5.5): 3580.35
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 994.07
ACD/KOC (pH 7.4): 4849.70
Polar Surface Area: 158 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 354.8±7.0 cm3

Click to predict properties on the Chemicalize site


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