ChemSpider 2D Image | Methyl 2-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-6-[3-(methylsulfanyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C22H26N2O5S3

Methyl 2-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-6-[3-(methylsulfanyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC22H26N2O5S3
  • Average mass494.647 Da
  • Monoisotopic mass494.100372 Da
  • ChemSpider ID23059721

More details:

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

2-(2,3-Dihydro-1H-indén-5-ylsulfamoyl)-6-[3-(méthylsulfanyl)propanoyl]-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-6-[3-(methylsulfanyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-2-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-6-[3-(methylsulfanyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[(2,3-dihydro-1H-inden-5-yl)amino]sulfonyl]-4,5,6,7-tetrahydro-6-[3-(methylthio)-1-oxopropyl]-, methyl ester [ACD/Index Name]
methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)sulfonyl]-6-[3-(methylthio)propanoyl]-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: 1.4±0.1 g/cm3
Boiling Point: 744.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 404.0±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 456.07
ACD/KOC (pH 5.5): 2725.40
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 70.57
ACD/KOC (pH 7.4): 421.70
Polar Surface Area: 155 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 351.1±3.0 cm3

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