ChemSpider 2D Image | N-(4-Nitrophenyl)-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C16H20N4O4S

N-(4-Nitrophenyl)-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC16H20N4O4S
  • Average mass364.419 Da
  • Monoisotopic mass364.120514 Da
  • ChemSpider ID62367351

  • 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-N-(4-nitrophenyl)-2-oxo-, (3aS,4S,6aS)- [ACD/Index Name]
N-(4-Nitrophenyl)-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-(4-Nitrophenyl)-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-(4-Nitrophényl)-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]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: 728.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.33
ACD/KOC (pH 5.5): 533.65
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.33
ACD/KOC (pH 7.4): 533.65
Polar Surface Area: 141 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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