ChemSpider 2D Image | 4-Butyl-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]cyclohexanecarboxamide | C22H38N6O3S

4-Butyl-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]cyclohexanecarboxamide

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID123692372

More details:

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

4-Butyl-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
4-Butyl-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]cyclohexanecarboxamide [ACD/IUPAC Name]
4-Butyl-N-[1-(1,1-dioxydotétrahydro-3-thiophényl)-3-(4-méthyl-1-pipérazinyl)-1H-1,2,4-triazol-5-yl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, 4-butyl-N-[3-(4-methyl-1-piperazinyl)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 37.60
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.92
ACD/KOC (pH 7.4): 288.92
Polar Surface Area: 109 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 334.7±7.0 cm3

Click to predict properties on the Chemicalize site


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