ChemSpider 2D Image | 4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxy-2-pyridinyl)-1-piperazinecarbothioamide | C17H17ClF3N5OS

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxy-2-pyridinyl)-1-piperazinecarbothioamide

  • Molecular FormulaC17H17ClF3N5OS
  • Average mass431.863 Da
  • Monoisotopic mass431.079437 Da
  • ChemSpider ID28658713

More details:

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

1-Piperazinecarbothioamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxy-2-pyridinyl)- [ACD/Index Name]
4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-N-(4-methoxy-2-pyridinyl)-1-piperazincarbothioamid [German] [ACD/IUPAC Name]
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxy-2-pyridinyl)-1-piperazinecarbothioamide [ACD/IUPAC Name]
4-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-N-(4-méthoxy-2-pyridinyl)-1-pipérazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 528.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 212.68
ACD/KOC (pH 5.5): 1360.71
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.54
ACD/KOC (pH 7.4): 2453.81
Polar Surface Area: 86 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 295.1±3.0 cm3

Click to predict properties on the Chemicalize site


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