ChemSpider 2D Image | (4S)-1-(4-Chlorobenzyl)-4-({[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}amino)-N-(3-pyridinylmethyl)-L-prolinamide | C28H35ClN4O

(4S)-1-(4-Chlorobenzyl)-4-({[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}amino)-N-(3-pyridinylmethyl)-L-prolinamide

  • Molecular FormulaC28H35ClN4O
  • Average mass479.057 Da
  • Monoisotopic mass478.249939 Da
  • ChemSpider ID22836176

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S)-1-(4-Chlorbenzyl)-4-({[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}amino)-N-(3-pyridinylmethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-(4-Chlorobenzyl)-4-({[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}amino)-N-(3-pyridinylmethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-1-(4-Chlorobenzyl)-4-({[(1R,5S)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}amino)-N-(3-pyridinylméthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(4-chlorophenyl)methyl]-4-[[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]amino]-N-(3-pyridinylmethyl)-, (2S,4S)- [ACD/Index 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: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 142.86
ACD/KOC (pH 7.4): 462.42
Polar Surface Area: 57 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement