ChemSpider 2D Image | N-{1-(4-Chlorophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-4-(2-methyl-2-propanyl)benzamide | C28H30ClN7O

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

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID123936667

More details:

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

Benzamide, N-[1-(4-chlorophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-{1-(4-Chlorophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{1-(4-Chlorophényl)-3-[4-(2-pyridinyl)-1-pipérazinyl]-1H-1,2,4-triazol-5-yl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
N-{1-(4-Chlorphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 25.75
ACD/KOC (pH 5.5): 74.70
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 523.40
ACD/KOC (pH 7.4): 1518.42
Polar Surface Area: 79 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

Click to predict properties on the Chemicalize site


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