ChemSpider 2D Image | 4-(1-Phenylethyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide | C23H25F3N2OS

4-(1-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 ID110133973

More details:

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

2H-Thieno[3,2-b]pyrrole-5-carboxamide, hexahydro-4-(1-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-(1-Phenylethyl)-N-[3-(trifluormethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrol-5-carboxamid [German] [ACD/IUPAC Name]
4-(1-Phenylethyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide [ACD/IUPAC Name]
4-(1-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: 563.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.4±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 229.14
ACD/KOC (pH 5.5): 812.00
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2672.06
ACD/KOC (pH 7.4): 9468.99
Polar Surface Area: 58 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

Click to predict properties on the Chemicalize site


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