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

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

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID110133272

More details:

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

2H-Thieno[3,2-b]pyrrole-5-carboxamide, hexahydro-4-[(4-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-(4-Methylbenzyl)-N-[3-(trifluormethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrol-5-carboxamid [German] [ACD/IUPAC Name]
4-(4-Methylbenzyl)-N-[3-(trifluoromethyl)benzyl]hexahydro-2H-thieno[3,2-b]pyrrole-5-carboxamide [ACD/IUPAC Name]
4-(4-Méthylbenzyl)-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: 574.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.3±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 85.94
ACD/KOC (pH 5.5): 384.38
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1147.78
ACD/KOC (pH 7.4): 5133.46
Polar Surface Area: 58 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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