ChemSpider 2D Image | 2-{4-[(4-sec-Butylphenyl)sulfonyl]-1-piperazinyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide | C27H35N5O4S

2-{4-[(4-sec-Butylphenyl)sulfonyl]-1-piperazinyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID11037393

More details:

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

1-Piperazineacetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-[[4-(1-methylpropyl)phenyl]sulfonyl]- [ACD/Index Name]
2-{4-[(4-sec-Butylphenyl)sulfonyl]-1-piperazinyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamid [German] [ACD/IUPAC Name]
2-{4-[(4-sec-Butylphenyl)sulfonyl]-1-piperazinyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide [ACD/IUPAC Name]
2-{4-[(4-sec-Butylphényl)sulfonyl]-1-pipérazinyl}-N-(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)acétamide [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: 1.652
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.05
ACD/KOC (pH 5.5): 366.08
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.74
ACD/KOC (pH 7.4): 375.42
Polar Surface Area: 102 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 395.4±5.0 cm3

Click to predict properties on the Chemicalize site


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