ChemSpider 2D Image | (4S)-1-(4-Chlorobenzyl)-4-({[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}amino)-N-methyl-L-prolinamide | C23H32ClN3O

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

  • Molecular FormulaC23H32ClN3O
  • Average mass401.973 Da
  • Monoisotopic mass401.223389 Da
  • ChemSpider ID22859817

  • 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-methyl-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-methyl-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-méthyl-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-methyl-, (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: 547.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.0±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 8.21
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 58.80
ACD/KOC (pH 7.4): 253.80
Polar Surface Area: 44 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

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