Found 1 result

Search term: XQWKNLJIWOTOKT-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Chloro-6-{(3S)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-N-ethylnicotinamide | C26H35Cl2N5O

5-Chloro-6-{(3S)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-N-ethylnicotinamide

  • Molecular FormulaC26H35Cl2N5O
  • Average mass504.495 Da
  • Monoisotopic mass503.221863 Da
  • ChemSpider ID24696349

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-N-ethyl- [ACD/Index Name]
5-Chlor-6-{(3S)-4-[1-(4-chlorbenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-N-ethylnicotinamid [German] [ACD/IUPAC Name]
5-Chloro-6-{(3S)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-N-ethylnicotinamide [ACD/IUPAC Name]
5-Chloro-6-{(3S)-4-[1-(4-chlorobenzyl)-4-pipéridinyl]-3-éthyl-1-pipérazinyl}-N-éthylnicotinamide [French] [ACD/IUPAC Name]
(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
906556-51-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472288/
VUF11211

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 15.98
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 312.37
ACD/KOC (pH 7.4): 1264.27
Polar Surface Area: 52 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 413.8±3.0 cm3

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