ChemSpider 2D Image | 4-{4-[(2,4-Dichloro-5-methylphenyl)sulfonyl]-1-piperazinyl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine | C21H24Cl2N6O2S

4-{4-[(2,4-Dichloro-5-methylphenyl)sulfonyl]-1-piperazinyl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine

  • Molecular FormulaC21H24Cl2N6O2S
  • Average mass495.425 Da
  • Monoisotopic mass494.105835 Da
  • ChemSpider ID58495494

More details:

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

4-{4-[(2,4-Dichlor-5-methylphenyl)sulfonyl]-1-piperazinyl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin [German] [ACD/IUPAC Name]
4-{4-[(2,4-Dichloro-5-methylphenyl)sulfonyl]-1-piperazinyl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine [ACD/IUPAC Name]
4-{4-[(2,4-Dichloro-5-méthylphényl)sulfonyl]-1-pipérazinyl}-6-(3,5-diméthyl-1H-pyrazol-1-yl)-2-méthylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1-piperazinyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl- [ACD/Index Name]
4-(4-((2,4-dichloro-5-methylphenyl)sulfonyl)piperazin-1-yl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 671.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2428.08
ACD/KOC (pH 5.5): 9074.84
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2566.42
ACD/KOC (pH 7.4): 9591.85
Polar Surface Area: 93 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 338.2±7.0 cm3

Click to predict properties on the Chemicalize site


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