ChemSpider 2D Image | N-Benzyl-3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-N,1-diethyl-1H-pyrazole-4-carboxamide | C27H35N5O4S

N-Benzyl-3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-N,1-diethyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID27317421

More details:

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

1H-Pyrazole-4-carboxamide, 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-N,1-diethyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-N,1-diethyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-N,1-diethyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-Benzyl-3-{[4-(2-éthoxyphényl)-1-pipérazinyl]sulfonyl}-N,1-diéthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
3-[4-(2-Ethoxy-phenyl)-piperazine-1-sulfonyl]-1-ethyl-1H-pyrazole-4-carboxylic acid benzyl-ethyl-amide
N-benzyl-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-N,1-diethyl-1H-pyrazole-4-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 147.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 59.77
ACD/KOC (pH 5.5): 517.64
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.42
ACD/KOC (pH 7.4): 1138.26
Polar Surface Area: 96 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 421.9±7.0 cm3

Click to predict properties on the Chemicalize site


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