ChemSpider 2D Image | Ethyl 2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl](isopropyl)amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate | C18H21F3N4O3S

Ethyl 2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl](isopropyl)amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

  • Molecular FormulaC18H21F3N4O3S
  • Average mass430.444 Da
  • Monoisotopic mass430.128632 Da
  • ChemSpider ID35255008

More details:

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

2-{[3-(1,5-Diméthyl-1H-pyrazol-4-yl)acryloyl](isopropyl)amino}-4-(trifluorométhyl)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-oxo-2-propen-1-yl](1-methylethyl)amino]-4-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl](isopropyl)amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl](isopropyl)amino}-4-(trifluormethyl)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.8±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.25
ACD/KOC (pH 5.5): 1215.89
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.29
ACD/KOC (pH 7.4): 1216.27
Polar Surface Area: 106 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 321.5±7.0 cm3

Click to predict properties on the Chemicalize site


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