ChemSpider 2D Image | Methyl 1-{6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3-pyridazinyl}-1H-imidazole-4-carboxylate | C18H14F3N5O3S

Methyl 1-{6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3-pyridazinyl}-1H-imidazole-4-carboxylate

  • Molecular FormulaC18H14F3N5O3S
  • Average mass437.396 Da
  • Monoisotopic mass437.076935 Da
  • ChemSpider ID28403416

More details:

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

1-{6-[(2-Oxo-2-{[2-(trifluorométhyl)phényl]amino}éthyl)sulfanyl]-3-pyridazinyl}-1H-imidazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Imidazole-4-carboxylic acid, 1-[6-[[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]thio]-3-pyridazinyl]-, methyl ester [ACD/Index Name]
Methyl 1-{6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3-pyridazinyl}-1H-imidazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-{6-[(2-oxo-2-{[2-(trifluormethyl)phenyl]amino}ethyl)sulfanyl]-3-pyridazinyl}-1H-imidazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 1-{6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)thio]pyridazin-3-yl}-1H-imidazole-4-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.34
ACD/KOC (pH 5.5): 361.78
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.33
ACD/KOC (pH 7.4): 361.77
Polar Surface Area: 124 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 295.0±7.0 cm3

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