ChemSpider 2D Image | 4-({4-[N-(Cyclohexylcarbonyl)valyl]-1-piperazinyl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide | C22H35N5O5S

4-({4-[N-(Cyclohexylcarbonyl)valyl]-1-piperazinyl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H35N5O5S
  • Average mass481.609 Da
  • Monoisotopic mass481.235901 Da
  • ChemSpider ID22098130

More details:

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

1H-Pyrrole-2-carboxamide, 4-[[4-[2-[(cyclohexylcarbonyl)amino]-3-methyl-1-oxobutyl]-1-piperazinyl]sulfonyl]-1-methyl- [ACD/Index Name]
4-({4-[N-(Cyclohexylcarbonyl)valyl]-1-piperazinyl}sulfonyl)-1-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-({4-[N-(Cyclohexylcarbonyl)valyl]-1-piperazinyl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-({4-[N-(Cyclohexylcarbonyl)valyl]-1-pipérazinyl}sulfonyl)-1-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-({4-[2-(CYCLOHEXYLFORMAMIDO)-3-METHYLBUTANOYL]PIPERAZIN-1-YL}SULFONYL)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE
4-{4-[2-(CYCLOHEXYLFORMAMIDO)-3-METHYLBUTANOYL]PIPERAZIN-1-YLSULFONYL}-1-METHYLPYRROLE-2-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 130.68
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.35
ACD/KOC (pH 7.4): 130.68
Polar Surface Area: 143 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site


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