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Search term: OWRHDDWGVSCVLM-RCZVLFRGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate | C27H40ClN3O4S

1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate

  • Molecular FormulaC27H40ClN3O4S
  • Average mass538.142 Da
  • Monoisotopic mass537.242798 Da
  • ChemSpider ID23298356

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,4'-Bipiperidine]-1'-carboxylic acid, 1-[(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl]cyclopropyl ester [ACD/Index Name]
1,4'-Bipipéridine-1'-carboxylate de 1-{(2R,6R)-1-[(4-chlorophényl)sulfonyl]-6-éthyl-2-pipéridinyl}cyclopropyle [French] [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethylpiperidin-2-yl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate
1-{(2R,6R)-1-[(4-Chlorphenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl-1,4'-bipiperidin-1'-carboxylat [German] [ACD/IUPAC Name]
1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl 4-(piperidin-1-yl)piperidine-1-carboxylate
CHEMBL239859

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 20.87
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 150.08
ACD/KOC (pH 7.4): 421.58
Polar Surface Area: 79 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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