ChemSpider 2D Image | 6-Acetyl-N-carbamoyl-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide | C28H35N5O6S2

6-Acetyl-N-carbamoyl-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID3553598

More details:

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

6-Acetyl-N-carbamoyl-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
6-Acetyl-N-carbamoyl-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide [ACD/IUPAC Name]
6-Acétyl-N-carbamoyl-2-({4-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxamide, 6-acetyl-N-(aminocarbonyl)-4,5,6,7-tetrahydro-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl]amino]- [ACD/Index 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: 1.634
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 323.09
ACD/KOC (pH 5.5): 2176.58
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.51
ACD/KOC (pH 7.4): 2165.93
Polar Surface Area: 196 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 433.1±3.0 cm3

Click to predict properties on the Chemicalize site


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