ChemSpider 2D Image | 7a-Methyl-5-oxo-N'-{[3-(trifluoromethyl)phenoxy]acetyl}hexahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide | C17H18F3N3O4S

7a-Methyl-5-oxo-N'-{[3-(trifluoromethyl)phenoxy]acetyl}hexahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

  • Molecular FormulaC17H18F3N3O4S
  • Average mass417.403 Da
  • Monoisotopic mass417.097015 Da
  • ChemSpider ID22423536

More details:

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

7a-Methyl-5-oxo-N'-{[3-(trifluormethyl)phenoxy]acetyl}hexahydropyrrolo[2,1-b][1,3]thiazol-3-carbohydrazid [German] [ACD/IUPAC Name]
7a-Methyl-5-oxo-N'-{[3-(trifluoromethyl)phenoxy]acetyl}hexahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide [ACD/IUPAC Name]
7a-Méthyl-5-oxo-N'-{2-[3-(trifluorométhyl)phénoxy]acétyl}hexahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]thiazole-3-carboxylic acid, hexahydro-7a-methyl-5-oxo-, 2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazide [ACD/Index 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: 664.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 355.9±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 90.80
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.55
Polar Surface Area: 113 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 281.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement