Found 1 result

Search term: IOUDUPKHXQXVDO-TZIWHRDSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 4-ethyl-4-hydroxy-1-piperidinecarboxylate | C24H35ClN2O5S

1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 4-ethyl-4-hydroxy-1-piperidinecarboxylate

  • Molecular FormulaC24H35ClN2O5S
  • Average mass499.063 Da
  • Monoisotopic mass498.195526 Da
  • ChemSpider ID23298376

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 4-ethyl-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethylpiperidin-2-yl}cyclopropyl 4-ethyl-4-hydroxypiperidine-1-carboxylate
1-{(2R,6R)-1-[(4-Chlorphenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl-4-ethyl-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-ethyl-4-hydroxy-, 1-[(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl]cyclopropyl ester [ACD/Index Name]
4-Éthyl-4-hydroxy-1-pipéridinecarboxylate de 1-{(2R,6R)-1-[(4-chlorophényl)sulfonyl]-6-éthyl-2-pipéridinyl}cyclopropyle [French] [ACD/IUPAC Name]
1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl 4-ethyl-4-hydroxypiperidine-1-carboxylate
CHEMBL392144
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL392144/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.1±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1706.12
ACD/KOC (pH 5.5): 7162.58
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1706.12
ACD/KOC (pH 7.4): 7162.58
Polar Surface Area: 96 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

Click to predict properties on the Chemicalize site


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