ChemSpider 2D Image | Methyl 1-(dimethylsulfamoyl)-4-[(4-methoxyphenyl)ethynyl]-3-(trimethylsilyl)-1H-pyrrole-2-carboxylate | C20H26N2O5SSi

Methyl 1-(dimethylsulfamoyl)-4-[(4-methoxyphenyl)ethynyl]-3-(trimethylsilyl)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC20H26N2O5SSi
  • Average mass434.581 Da
  • Monoisotopic mass434.133179 Da
  • ChemSpider ID30659036

More details:

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

1-(Diméthylsulfamoyl)-4-[(4-méthoxyphényl)éthynyl]-3-(triméthylsilyl)-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 1-[(dimethylamino)sulfonyl]-4-[2-(4-methoxyphenyl)ethynyl]-3-(trimethylsilyl)-, methyl ester [ACD/Index Name]
Methyl 1-(dimethylsulfamoyl)-4-[(4-methoxyphenyl)ethynyl]-3-(trimethylsilyl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-1-(dimethylsulfamoyl)-4-[(4-methoxyphenyl)ethinyl]-3-(trimethylsilyl)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.4±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1989.79
ACD/KOC (pH 5.5): 7996.19
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1989.79
ACD/KOC (pH 7.4): 7996.19
Polar Surface Area: 86 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 382.6±7.0 cm3

Click to predict properties on the Chemicalize site


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