ChemSpider 2D Image | 2-{4-[(2,5-Dimethylphenyl)sulfonyl]-1-piperazinyl}-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C34H36N4O4S

2-{4-[(2,5-Dimethylphenyl)sulfonyl]-1-piperazinyl}-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID3190843

More details:

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

2-{4-[(2,5-Dimethylphenyl)sulfonyl]-1-piperazinyl}-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
2-{4-[(2,5-Dimethylphenyl)sulfonyl]-1-piperazinyl}-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
2-{4-[(2,5-Diméthylphényl)sulfonyl]-1-pipérazinyl}-1-[5-(4-méthoxyphényl)-3-(2-naphtyl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-naphthalenyl)-1H-pyrazol-1-yl]-2-[4-[(2,5-dimethylphenyl)sulfonyl]-1-piperazinyl]- [ACD/Index 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: 764.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.4±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7302.37
ACD/KOC (pH 5.5): 19944.00
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7738.02
ACD/KOC (pH 7.4): 21133.81
Polar Surface Area: 91 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 466.3±7.0 cm3

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