ChemSpider 2D Image | N-[(3-endo)-8-{2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-benzimidazole-4-carboxamide | C23H34N6O4S

N-[(3-endo)-8-{2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-benzimidazole-4-carboxamide

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID30827779

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Benzimidazole-4-carboxamide, N-[(3-endo)-8-[2-hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl]propyl]-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]
N-[(3-endo)-8-{2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-benzimidazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[(3-endo)-8-{2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-benzimidazole-4-carboxamide [ACD/IUPAC Name]
N-[(3-endo)-8-{2-Hydroxy-3-[4-(méthylsulfonyl)-1-pipérazinyl]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-benzimidazole-4-carboxamide [French] [ACD/IUPAC 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: 1.680
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

Click to predict properties on the Chemicalize site


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