ChemSpider 2D Image | N-{3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide | C19H26N8O6

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

  • Molecular FormulaC19H26N8O6
  • Average mass462.460 Da
  • Monoisotopic mass462.197540 Da
  • ChemSpider ID123885834

More details:

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

Benzamide, N-[1-(1,1-dimethylethyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl]-3,5-dinitro- [ACD/Index Name]
N-{3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-{3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-{3-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-1-(2-méthyl-2-propanyl)-1H-1,2,4-triazol-5-yl}-3,5-dinitrobenzamide [French] [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: 1.683
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.61
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 112.89
Polar Surface Area: 178 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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