ChemSpider 2D Image | 4-{4-[(2,5-Difluorobenzyl)sulfonyl]-1-piperazinyl}-6-methylpyrimidine | C16H18F2N4O2S

4-{4-[(2,5-Difluorobenzyl)sulfonyl]-1-piperazinyl}-6-methylpyrimidine

  • Molecular FormulaC16H18F2N4O2S
  • Average mass368.401 Da
  • Monoisotopic mass368.111847 Da
  • ChemSpider ID30676374

More details:

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

4-{4-[(2,5-Difluorbenzyl)sulfonyl]-1-piperazinyl}-6-methylpyrimidin [German] [ACD/IUPAC Name]
4-{4-[(2,5-Difluorobenzyl)sulfonyl]-1-piperazinyl}-6-methylpyrimidine [ACD/IUPAC Name]
4-{4-[(2,5-Difluorobenzyl)sulfonyl]-1-pipérazinyl}-6-méthylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[[(2,5-difluorophenyl)methyl]sulfonyl]-1-piperazinyl]-6-methyl- [ACD/Index Name]
1396813-50-5 [RN]
4-(4-((2,5-difluorobenzyl)sulfonyl)piperazin-1-yl)-6-methylpyrimidine
4-{4-[(2,5-difluorophenyl)methanesulfonyl]piperazin-1-yl}-6-methylpyrimidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 57.01
Polar Surface Area: 75 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 256.4±5.0 cm3

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