ChemSpider 2D Image | (2-Methyl-3-pyridinyl)[(2S)-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl]methanone | C19H20F3N3O3S

(2-Methyl-3-pyridinyl)[(2S)-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl]methanone

  • Molecular FormulaC19H20F3N3O3S
  • Average mass427.441 Da
  • Monoisotopic mass427.117737 Da
  • ChemSpider ID75531289

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2-Methyl-3-pyridinyl)[(2S)-2-methyl-4-{[4-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(2-Methyl-3-pyridinyl)[(2S)-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl]methanone [ACD/IUPAC Name]
(2-Méthyl-3-pyridinyl)[(2S)-2-méthyl-4-{[4-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (2-methyl-3-pyridinyl)[(2S)-2-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]- [ACD/Index Name]
1204535-44-3 [RN]
Cav 2.2 blocker 2
Cnv-2197944
CNV2197944

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.9±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 29.51
ACD/KOC (pH 5.5): 368.37
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.79
ACD/KOC (pH 7.4): 459.14
Polar Surface Area: 79 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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