ChemSpider 2D Image | N-{3-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzamide | C32H41N5O4S2

N-{3-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzamide

  • Molecular FormulaC32H41N5O4S2
  • Average mass623.829 Da
  • Monoisotopic mass623.260010 Da
  • ChemSpider ID3295976

More details:

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

Benzamide, N-[3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]- [ACD/Index Name]
N-{3-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzamid [German] [ACD/IUPAC Name]
N-{3-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzamide [ACD/IUPAC Name]
N-{3-[(3,5-Diméthyl-1H-pyrazol-1-yl)carbonyl]-6-éthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridin-2-yl}-4-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzamide [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: 1.685
Molar Refractivity: 171.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 2534.79
ACD/KOC (pH 5.5): 3988.25
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 42808.57
ACD/KOC (pH 7.4): 67355.19
Polar Surface Area: 141 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 452.3±7.0 cm3

Click to predict properties on the Chemicalize site


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