ChemSpider 2D Image | 6-Benzyl-2-({4-[bis(cyanomethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide | C27H26N6O4S2

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

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID4223241

More details:

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

6-Benzyl-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-Benzyl-2-({4-[bis(cyanomethyl)sulfamoyl]benzoyl}amino)-N-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide [ACD/IUPAC Name]
6-Benzyl-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, 2-[[4-[[bis(cyanomethyl)amino]sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydro-N-methyl-6-(phenylmethyl)- [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: 1.658
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 28.91
ACD/KOC (pH 5.5): 248.62
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.68
ACD/KOC (pH 7.4): 1123.82
Polar Surface Area: 183 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

Click to predict properties on the Chemicalize site


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