ChemSpider 2D Image | N,N-Diethyl-1-methyl-5-({4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}carbonyl)-1H-pyrrole-3-sulfonamide | C22H29F3N4O3S

N,N-Diethyl-1-methyl-5-({4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}carbonyl)-1H-pyrrole-3-sulfonamide

  • Molecular FormulaC22H29F3N4O3S
  • Average mass486.551 Da
  • Monoisotopic mass486.191254 Da
  • ChemSpider ID22575474

More details:

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

1H-Pyrrole-3-sulfonamide, N,N-diethyl-1-methyl-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
N,N-Diethyl-1-methyl-5-({4-[4-(trifluormethyl)benzyl]-1-piperazinyl}carbonyl)-1H-pyrrol-3-sulfonamid [German] [ACD/IUPAC Name]
N,N-Diethyl-1-methyl-5-({4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}carbonyl)-1H-pyrrole-3-sulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-1-méthyl-5-({4-[4-(trifluorométhyl)benzyl]-1-pipérazinyl}carbonyl)-1H-pyrrole-3-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 35.62
ACD/KOC (pH 5.5): 400.47
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.96
ACD/KOC (pH 7.4): 595.47
Polar Surface Area: 74 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 373.1±7.0 cm3

Click to predict properties on the Chemicalize site


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