ChemSpider 2D Image | N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-thiophenecarboxamide | C27H37N5OS

N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-thiophenecarboxamide

  • Molecular FormulaC27H37N5OS
  • Average mass479.681 Da
  • Monoisotopic mass479.271881 Da
  • ChemSpider ID22761294

More details:

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

2-Thiophenecarboxamide, N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl]-N-(3-methylbutyl)- [ACD/Index Name]
N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{[5-(4-Éthyl-1-pipérazinyl)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}-N-(3-méthylbutyl)-2-thiophènecarboxamide [French] [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: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 21.02
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 264.11
ACD/KOC (pH 7.4): 1263.15
Polar Surface Area: 73 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

Click to predict properties on the Chemicalize site


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