ChemSpider 2D Image | 4-[(Cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[4-(trifluoromethyl)benzyl]-1,2-thiazole-5-carboxamide | C21H17F3N4O2S

4-[(Cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[4-(trifluoromethyl)benzyl]-1,2-thiazole-5-carboxamide

  • Molecular FormulaC21H17F3N4O2S
  • Average mass446.445 Da
  • Monoisotopic mass446.102417 Da
  • ChemSpider ID26315967

More details:

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

4-[(Cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[4-(trifluormethyl)benzyl]-1,2-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
4-[(Cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[4-(trifluoromethyl)benzyl]-1,2-thiazole-5-carboxamide [ACD/IUPAC Name]
4-[(Cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[4-(trifluorométhyl)benzyl]-1,2-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
5-Isothiazolecarboxamide, 4-[(cyclopropylcarbonyl)amino]-3-(2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
1251599-17-3 [RN]
4-(cyclopropanecarboxamido)-3-(pyridin-2-yl)-N-(4-(trifluoromethyl)benzyl)isothiazole-5-carboxamide
4-[(cyclopropylcarbonyl)amino]-3-pyridin-2-yl-N-[4-(trifluoromethyl)benzyl]isothiazole-5-carboxamide
4-cyclopropaneamido-3-(pyridin-2-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-5-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.99
ACD/KOC (pH 5.5): 1153.01
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.99
ACD/KOC (pH 7.4): 1153.02
Polar Surface Area: 112 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

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