ChemSpider 2D Image | Methyl 1-({[5-(ethoxycarbonyl)-1,3,4-thiadiazol-2-yl]methyl}sulfamoyl)-L-prolinate | C12H18N4O6S2

Methyl 1-({[5-(ethoxycarbonyl)-1,3,4-thiadiazol-2-yl]methyl}sulfamoyl)-L-prolinate

  • Molecular FormulaC12H18N4O6S2
  • Average mass378.424 Da
  • Monoisotopic mass378.066772 Da
  • ChemSpider ID114933692

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({[5-(Éthoxycarbonyl)-1,3,4-thiadiazol-2-yl]méthyl}sulfamoyl)-L-prolinate de méthyle [French] [ACD/IUPAC Name]
L-Proline, 1-[[[[5-(ethoxycarbonyl)-1,3,4-thiadiazol-2-yl]methyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 1-({[5-(ethoxycarbonyl)-1,3,4-thiadiazol-2-yl]methyl}sulfamoyl)-L-prolinate [ACD/IUPAC Name]
Methyl-1-({[5-(ethoxycarbonyl)-1,3,4-thiadiazol-2-yl]methyl}sulfamoyl)-L-prolinat [German] [ACD/IUPAC 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: 532.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.57
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.54
Polar Surface Area: 164 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 251.1±5.0 cm3

Click to predict properties on the Chemicalize site


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