ChemSpider 2D Image | 4-(2-Phenylethyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide | C23H25F3N2OS

4-(2-Phenylethyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID110133989

More details:

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

2H-Thieno[3,2-b]pyrrole-5-carboxamide, hexahydro-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-(2-Phenylethyl)-N-[3-(trifluormethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrol-5-carboxamid [German] [ACD/IUPAC Name]
4-(2-Phenylethyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide [ACD/IUPAC Name]
4-(2-Phényléthyl)-N-[3-(trifluorométhyl)benzyl]hexahydro-2H-thiéno[3,2-b]pyrrole-5-carboxamide [French] [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: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 14.23
ACD/KOC (pH 5.5): 65.16
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 576.25
ACD/KOC (pH 7.4): 2639.22
Polar Surface Area: 58 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 346.0±3.0 cm3

Click to predict properties on the Chemicalize site


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