ChemSpider 2D Image | (5-Chloro-1H-indol-2-yl){4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl}methanone | C22H27ClN6O

(5-Chloro-1H-indol-2-yl){4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl}methanone

  • Molecular FormulaC22H27ClN6O
  • Average mass426.942 Da
  • Monoisotopic mass426.193481 Da
  • ChemSpider ID30678311

More details:

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

(5-Chlor-1H-indol-2-yl){4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(5-Chloro-1H-indol-2-yl){4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(5-Chloro-1H-indol-2-yl){4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-1H-indol-2-yl)[4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]- [ACD/Index Name]
(5-chloro-1H-indol-2-yl)(4-((4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl)piperazin-1-yl)methanone
1396800-29-5 [RN]
5-chloro-2-({4-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl}carbonyl)-1H-indole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.6±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.03
ACD/KOC (pH 5.5): 629.28
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.49
ACD/KOC (pH 7.4): 655.93
Polar Surface Area: 70 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 297.0±7.0 cm3

Click to predict properties on the Chemicalize site


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