ChemSpider 2D Image | 4-(3,5-Dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(4-ethylphenyl)sulfonyl]-2-piperazinecarboxamide | C33H39N5O5S

4-(3,5-Dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(4-ethylphenyl)sulfonyl]-2-piperazinecarboxamide

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID26348017

More details:

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

2-Piperazinecarboxamide, 4-(3,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(4-ethylphenyl)sulfonyl]- [ACD/Index Name]
4-(3,5-Dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(4-ethylphenyl)sulfonyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(3,5-Dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(4-ethylphenyl)sulfonyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
4-(3,5-Diméthoxyphényl)-N-[(3,5-diméthyl-1-phényl-1H-pyrazol-4-yl)méthyl]-1-[(4-éthylphényl)sulfonyl]-2-pipérazinecarboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 172.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 936.73
ACD/KOC (pH 5.5): 4659.76
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 939.11
ACD/KOC (pH 7.4): 4671.62
Polar Surface Area: 114 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 488.2±7.0 cm3

Click to predict properties on the Chemicalize site


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