ChemSpider 2D Image | 4-(4-Chloro-3,5-dimethylphenoxy)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]butanamide | C23H33ClN6O4S

4-(4-Chloro-3,5-dimethylphenoxy)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]butanamide

  • Molecular FormulaC23H33ClN6O4S
  • Average mass525.064 Da
  • Monoisotopic mass524.197266 Da
  • ChemSpider ID123129668

More details:

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

4-(4-Chlor-3,5-dimethylphenoxy)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]butanamid [German] [ACD/IUPAC Name]
4-(4-Chloro-3,5-dimethylphenoxy)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(4-methyl-1-piperazinyl)-1H-1,2,4-triazol-5-yl]butanamide [ACD/IUPAC Name]
4-(4-Chloro-3,5-diméthylphénoxy)-N-[1-(1,1-dioxydotétrahydro-3-thiophényl)-3-(4-méthyl-1-pipérazinyl)-1H-1,2,4-triazol-5-yl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-(4-chloro-3,5-dimethylphenoxy)-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: 1.663
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 29.69
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.43
ACD/KOC (pH 7.4): 229.29
Polar Surface Area: 118 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 365.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement