ChemSpider 2D Image | 6-Acetyl-2-({4-[bis(cyanomethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide | C22H22N6O5S2

6-Acetyl-2-({4-[bis(cyanomethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID3586561

More details:

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

6-Acetyl-2-({4-[bis(cyanmethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
6-Acetyl-2-({4-[bis(cyanomethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide [ACD/IUPAC Name]
6-Acétyl-2-({4-[bis(cyanométhyl)sulfamoyl]benzoyl}amino)-N-méthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxamide, 6-acetyl-2-[[4-[[bis(cyanomethyl)amino]sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydro-N-methyl- [ACD/Index 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: 1.641
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.67
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.65
Polar Surface Area: 200 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

Click to predict properties on the Chemicalize site


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