ChemSpider 2D Image | 3-({4-[7-(4-Cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}carbonyl)benzonitrile | C29H29N7O

3-({4-[7-(4-Cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}carbonyl)benzonitrile

  • Molecular FormulaC29H29N7O
  • Average mass491.587 Da
  • Monoisotopic mass491.243347 Da
  • ChemSpider ID22750770

More details:

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

3-({4-[7-(4-Cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}carbonyl)benzonitril [German] [ACD/IUPAC Name]
3-({4-[7-(4-Cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}carbonyl)benzonitrile [ACD/IUPAC Name]
3-({4-[7-(4-Cyclohexylphényl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-pipérazinyl}carbonyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl]carbonyl]- [ACD/Index 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: 1.715
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 747.02
ACD/KOC (pH 5.5): 3877.18
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 808.02
ACD/KOC (pH 7.4): 4193.78
Polar Surface Area: 90 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 368.3±7.0 cm3

Click to predict properties on the Chemicalize site


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