ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | C20H23F3N4O5S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC20H23F3N4O5S
  • Average mass488.481 Da
  • Monoisotopic mass488.134125 Da
  • ChemSpider ID22556828

More details:

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

1-(2-Pyridinyl)-5-(trifluorométhyl)-1H-pyrazole-4-carboxylate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(2-pyridinyl)-5-(trifluoromethyl)-, 2-[(2-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl-1-(2-pyridinyl)-5-(trifluormethyl)-1H-pyrazol-4-carboxylat [German] [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: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.09
ACD/KOC (pH 5.5): 181.99
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.09
ACD/KOC (pH 7.4): 181.99
Polar Surface Area: 120 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


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