ChemSpider 2D Image | 3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)(~2~H_4_)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide | C24H30D4N4O5S

3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)(2H4)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

  • Molecular FormulaC24H30D4N4O5S
  • Average mass494.640 Da
  • Monoisotopic mass494.250092 Da
  • ChemSpider ID62873060

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl-1,1,2,2-d4]-2-oxo- [ACD/Index Name]
3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)(2H4)ethyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-carboxamid [German] [ACD/IUPAC Name]
3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)(2H4)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide [ACD/IUPAC Name]
3-Éthyl-4-méthyl-N-[2-(4-{[(trans-4-méthylcyclohexyl)carbamoyl]sulfamoyl}phényl)(2H4)éthyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide [French] [ACD/IUPAC Name]
1131981-29-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 149.25
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 14.55
Polar Surface Area: 133 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 378.8±5.0 cm3

Click to predict properties on the Chemicalize site


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