ChemSpider 2D Image | N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1,3-benzodioxole-5-carboxamide | C22H24N8O5S

N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC22H24N8O5S
  • Average mass512.542 Da
  • Monoisotopic mass512.159058 Da
  • ChemSpider ID123929643

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[3-[4-(2-pyrimidinyl)-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-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-{1-(1,1-Dioxydotétrahydro-3-thiophényl)-3-[4-(2-pyrimidinyl)-1-pipérazinyl]-1H-1,2,4-triazol-5-yl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.802
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.96
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.47
Polar Surface Area: 153 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement