ChemSpider 2D Image | 5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide | C18H22F3N3O3S

5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID30197405

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2,2,2-trifluorethoxy)phenyl]pentanamid [German] [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]-N-[2-(2,2,2-trifluoroéthoxy)phényl]pentanamide [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: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.14
ACD/KOC (pH 5.5): 1153.96
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.15
ACD/KOC (pH 7.4): 1153.98
Polar Surface Area: 105 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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