ChemSpider 2D Image | 2-(4-Fluorobenzyl)-4-methyl-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,3-thiazole-5-carboxamide | C20H18F4N4OS

2-(4-Fluorobenzyl)-4-methyl-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,3-thiazole-5-carboxamide

  • Molecular FormulaC20H18F4N4OS
  • Average mass438.442 Da
  • Monoisotopic mass438.113739 Da
  • ChemSpider ID30515644

More details:

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

2-(4-Fluorbenzyl)-4-methyl-N-(2-{[5-(trifluormethyl)-2-pyridinyl]amino}ethyl)-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-4-methyl-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-4-méthyl-N-(2-{[5-(trifluorométhyl)-2-pyridinyl]amino}éthyl)-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
5-Thiazolecarboxamide, 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]- [ACD/Index 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: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.21
ACD/KOC (pH 5.5): 3608.95
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 695.40
ACD/KOC (pH 7.4): 3767.06
Polar Surface Area: 95 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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