ChemSpider 2D Image | (4S)-1-(4-Chlorobenzyl)-4-{[(9-ethyl-9H-carbazol-3-yl)methyl]amino}-N-(2-methoxyethyl)-L-prolinamide | C30H35ClN4O2

(4S)-1-(4-Chlorobenzyl)-4-{[(9-ethyl-9H-carbazol-3-yl)methyl]amino}-N-(2-methoxyethyl)-L-prolinamide

  • Molecular FormulaC30H35ClN4O2
  • Average mass519.078 Da
  • Monoisotopic mass518.244873 Da
  • ChemSpider ID52594923

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-(4-Chlorbenzyl)-4-{[(9-ethyl-9H-carbazol-3-yl)methyl]amino}-N-(2-methoxyethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-(4-Chlorobenzyl)-4-{[(9-ethyl-9H-carbazol-3-yl)methyl]amino}-N-(2-methoxyethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-1-(4-Chlorobenzyl)-4-{[(9-éthyl-9H-carbazol-3-yl)méthyl]amino}-N-(2-méthoxyéthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(4-chlorophenyl)methyl]-4-[[(9-ethyl-9H-carbazol-3-yl)methyl]amino]-N-(2-methoxyethyl)-, (2S,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.4±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 11.01
ACD/KOC (pH 5.5): 32.00
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 517.03
ACD/KOC (pH 7.4): 1503.15
Polar Surface Area: 59 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 414.7±7.0 cm3

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