ChemSpider 2D Image | N-{(1R)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-hexyl-5-oxo-L-prolinamide | C27H41ClN4O5

N-{(1R)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-hexyl-5-oxo-L-prolinamide

  • Molecular FormulaC27H41ClN4O5
  • Average mass537.091 Da
  • Monoisotopic mass536.276550 Da
  • ChemSpider ID62571189

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(1R)-1-(2-chloro-5-nitrophenyl)-2-oxo-2-[(1,1,3,3-tetramethylbutyl)amino]ethyl]-N-hexyl-5-oxo-, (2S)- [ACD/Index Name]
N-{(1R)-1-(2-Chlor-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-hexyl-5-oxo-L-prolinamid [German] [ACD/IUPAC Name]
N-{(1R)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-hexyl-5-oxo-L-prolinamide [ACD/IUPAC Name]
N-{(1R)-1-(2-Chloro-5-nitrophényl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}-N-hexyl-5-oxo-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1858.89
ACD/KOC (pH 5.5): 7616.03
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1858.89
ACD/KOC (pH 7.4): 7616.03
Polar Surface Area: 124 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

Click to predict properties on the Chemicalize site


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