ChemSpider 2D Image | N-[4,5-Dimethoxy-2-(1-piperidinylcarbonyl)phenyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C24H34N4O5S

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

  • Molecular FormulaC24H34N4O5S
  • Average mass490.616 Da
  • Monoisotopic mass490.224976 Da
  • ChemSpider ID29832336
  • 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, N-[4,5-dimethoxy-2-(1-piperidinylcarbonyl)phenyl]hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-[4,5-Dimethoxy-2-(1-piperidinylcarbonyl)phenyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-[4,5-Dimethoxy-2-(1-piperidinylcarbonyl)phenyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-[4,5-Diméthoxy-2-(1-pipéridinylcarbonyl)phényl]-5-[(3aS,4S,6aR)-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

Density: 1.3±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 445.9±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.92
ACD/KOC (pH 5.5): 1195.71
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.92
ACD/KOC (pH 7.4): 1195.72
Polar Surface Area: 134 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 392.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement