ChemSpider 2D Image | N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide | C23H32N8O4S

N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID123936440

More details:

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

3-Pyrrolidinecarboxamide, 1-(1-methylethyl)-5-oxo-N-[3-[4-(2-pyridinyl)-1-piperazinyl]-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]
N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1-isopropyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-{1-(1,1-Dioxydotétrahydro-3-thiophényl)-3-[4-(2-pyridinyl)-1-pipérazinyl]-1H-1,2,4-triazol-5-yl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide [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: 1.739
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 334.9±7.0 cm3

Click to predict properties on the Chemicalize site


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