ChemSpider 2D Image | Methyl 2-(benzylsulfamoyl)-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C19H18N4O5S3

Methyl 2-(benzylsulfamoyl)-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC19H18N4O5S3
  • Average mass478.565 Da
  • Monoisotopic mass478.043915 Da
  • ChemSpider ID22240646

More details:

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

2-(Benzylsulfamoyl)-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(benzylsulfamoyl)-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-2-(benzylsulfamoyl)-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(phenylmethyl)amino]sulfonyl]-6-(1,2,3-thiadiazol-4-ylcarbonyl)-, methyl ester [ACD/Index Name]
methyl 2-[(benzylamino)sulfonyl]-6-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 732.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.1±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.81
ACD/KOC (pH 5.5): 346.67
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.80
ACD/KOC (pH 7.4): 346.49
Polar Surface Area: 183 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement