ChemSpider 2D Image | 1-[5-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-3-yl]-4-piperidinecarboxamide | C22H29ClN6O5S

1-[5-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-3-yl]-4-piperidinecarboxamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID123928445

More details:

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

1-[5-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-3-yl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[5-{[2-(4-Chlorophénoxy)-2-méthylpropanoyl]amino}-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-3-yl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-[5-{[2-(4-Chlorphenoxy)-2-methylpropanoyl]amino}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-3-yl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[5-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-3-yl]- [ACD/Index 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: 1.695
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 47.63
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.17
Polar Surface Area: 158 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement