ChemSpider 2D Image | N-Ethyl-6-methyl-2-(4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-4-pyrimidinamine | C18H22F3N5O2S

N-Ethyl-6-methyl-2-(4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-4-pyrimidinamine

  • Molecular FormulaC18H22F3N5O2S
  • Average mass429.460 Da
  • Monoisotopic mass429.144623 Da
  • ChemSpider ID29425376

More details:

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

4-Pyrimidinamine, N-ethyl-6-methyl-2-[4-[[4-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]- [ACD/Index Name]
N-Ethyl-6-methyl-2-(4-{[4-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Ethyl-6-methyl-2-(4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-Éthyl-6-méthyl-2-(4-{[4-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 22.87
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 23.44
ACD/KOC (pH 7.4): 99.79
Polar Surface Area: 87 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

Click to predict properties on the Chemicalize site


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