ChemSpider 2D Image | N-[3-(4-Acetyl-1-piperazinyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorophenoxy)butanamide | C22H29ClN6O5S

N-[3-(4-Acetyl-1-piperazinyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorophenoxy)butanamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID123118866

More details:

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

Butanamide, N-[3-(4-acetyl-1-piperazinyl)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorophenoxy)- [ACD/Index Name]
N-[3-(4-Acetyl-1-piperazinyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorophenoxy)butanamide [ACD/IUPAC Name]
N-[3-(4-Acetyl-1-piperazinyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorphenoxy)butanamid [German] [ACD/IUPAC Name]
N-[3-(4-Acétyl-1-pipérazinyl)-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-5-yl]-4-(2-chlorophénoxy)butanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 51.49
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 55.42
Polar Surface Area: 135 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 348.5±7.0 cm3

Click to predict properties on the Chemicalize site


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