ChemSpider 2D Image | 1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine | C19H22FN5O2S2

1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID22541812

More details:

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

1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-4-{[4-(4-fluorophényl)-1,3-thiazol-2-yl]méthyl}pipérazine [French] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-{[4-(4-fluorphenyl)-1,3-thiazol-2-yl]methyl}piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[[4-(4-fluorophenyl)-2-thiazolyl]methyl]- [ACD/Index Name]
1187955-44-7 [RN]
2-((4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazin-1-yl)methyl)-4-(4-fluorophenyl)thiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.73
ACD/KOC (pH 5.5): 951.44
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.40
ACD/KOC (pH 7.4): 976.16
Polar Surface Area: 119 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

Click to predict properties on the Chemicalize site


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