ChemSpider 2D Image | N-Ethyl-4-methyl-6-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-pyrimidinamine | C18H22F3N5O2S

N-Ethyl-4-methyl-6-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-pyrimidinamine

  • Molecular FormulaC18H22F3N5O2S
  • Average mass429.460 Da
  • Monoisotopic mass429.144623 Da
  • ChemSpider ID29022360

More details:

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

2-Pyrimidinamine, N-ethyl-4-methyl-6-[4-[[3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]- [ACD/Index Name]
N-Ethyl-4-methyl-6-(4-{[3-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-Ethyl-4-methyl-6-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-Éthyl-4-méthyl-6-(4-{[3-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-ethyl-4-methyl-6-(4-((3-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)pyrimidin-2-amine
N-ETHYL-4-METHYL-6-{4-[3-(TRIFLUOROMETHYL)BENZENESULFONYL]PIPERAZIN-1-YL}PYRIMIDIN-2-AMINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.6±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: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.77
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 13.44
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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