ChemSpider 2D Image | N-[(2S)-4-Chloro-3-oxo-1-phenyl-2-butanyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C20H26ClN3O3S

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

  • Molecular FormulaC20H26ClN3O3S
  • Average mass423.957 Da
  • Monoisotopic mass423.138336 Da
  • ChemSpider ID62881737

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-[(2S)-4-Chlor-3-oxo-1-phenyl-2-butanyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-[(2S)-4-Chloro-3-oxo-1-phenyl-2-butanyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-[(2S)-4-Chloro-3-oxo-1-phényl-2-butanyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
142009-30-1 [RN]
Biotinylphenylalanylchloromethane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 734.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.70
ACD/KOC (pH 5.5): 673.11
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.70
ACD/KOC (pH 7.4): 673.11
Polar Surface Area: 113 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 339.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement