ChemSpider 2D Image | 2-({1-[1-(4-Chloro-3-methylbenzyl)-4-piperidinyl]-5-oxo-D-prolyl}amino)-N,N,6-trimethylisonicotinamide | C27H34ClN5O3

2-({1-[1-(4-Chloro-3-methylbenzyl)-4-piperidinyl]-5-oxo-D-prolyl}amino)-N,N,6-trimethylisonicotinamide

  • Molecular FormulaC27H34ClN5O3
  • Average mass512.044 Da
  • Monoisotopic mass511.235016 Da
  • ChemSpider ID58893108

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({1-[1-(4-Chlor-3-methylbenzyl)-4-piperidinyl]-5-oxo-D-prolyl}amino)-N,N,6-trimethylisonicotinamid [German] [ACD/IUPAC Name]
2-({1-[1-(4-Chloro-3-methylbenzyl)-4-piperidinyl]-5-oxo-D-prolyl}amino)-N,N,6-trimethylisonicotinamide [ACD/IUPAC Name]
2-({1-[1-(4-Chloro-3-méthylbenzyl)-4-pipéridinyl]-5-oxo-D-prolyl}amino)-N,N,6-triméthylisonicotinamide [French] [ACD/IUPAC Name]
4-Pyridinecarboxamide, 2-[[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]-4-piperidinyl]-5-oxo-2-pyrrolidinyl]carbonyl]amino]-N,N,6-trimethyl- [ACD/Index Name]
1251528-23-0 [RN]
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
Alk-4290
ALK4290
Lazucirnon

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 16.02
ACD/KOC (pH 7.4): 190.04
Polar Surface Area: 86 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 397.4±3.0 cm3

Click to predict properties on the Chemicalize site


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