ChemSpider 2D Image | 4-(4-Chlorophenoxy)-N-{3-[4-(dimethylamino)-1-piperidinyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}butanamide | C23H33ClN6O4S

4-(4-Chlorophenoxy)-N-{3-[4-(dimethylamino)-1-piperidinyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}butanamide

  • Molecular FormulaC23H33ClN6O4S
  • Average mass525.064 Da
  • Monoisotopic mass524.197266 Da
  • ChemSpider ID123947104

More details:

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

4-(4-Chlorophenoxy)-N-{3-[4-(dimethylamino)-1-piperidinyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}butanamide [ACD/IUPAC Name]
4-(4-Chlorophénoxy)-N-{3-[4-(diméthylamino)-1-pipéridinyl]-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-5-yl}butanamide [French] [ACD/IUPAC Name]
4-(4-Chlorphenoxy)-N-{3-[4-(dimethylamino)-1-piperidinyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}butanamid [German] [ACD/IUPAC Name]
Butanamide, 4-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)-1-piperidinyl]-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: 1.662
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.43
Polar Surface Area: 118 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 366.5±7.0 cm3

Click to predict properties on the Chemicalize site


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