ChemSpider 2D Image | N-(3-Methylbutyl)-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}benzenesulfonamide | C27H37N5O2S

N-(3-Methylbutyl)-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}benzenesulfonamide

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID22742611

More details:

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

Benzenesulfonamide, N-(3-methylbutyl)-N-[[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
N-(3-Methylbutyl)-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}benzenesulfonamide [ACD/IUPAC Name]
N-(3-Méthylbutyl)-N-{[3-méthyl-5-(4-méthyl-1-pipérazinyl)-1-phényl-1H-pyrazol-4-yl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-(3-Methylbutyl)-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.5±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.70
ACD/KOC (pH 5.5): 33.30
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 448.67
ACD/KOC (pH 7.4): 1939.25
Polar Surface Area: 70 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 417.4±7.0 cm3

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