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Search term: MTNGJFIORXWRNU-AOYPEHQESA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-propyl-2-piperidinyl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate | C28H42ClN3O4S

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

  • Molecular FormulaC28H42ClN3O4S
  • Average mass552.169 Da
  • Monoisotopic mass551.258484 Da
  • ChemSpider ID23298355
  • 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-propyl-2-piperidinyl]cyclopropyl ester [ACD/Index Name]
1,4'-Bipipéridine-1'-carboxylate de 1-{(2R,6R)-1-[(4-chlorophényl)sulfonyl]-6-propyl-2-pipéridinyl}cyclopropyle [French] [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-propyl-2-piperidinyl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-propylpiperidin-2-yl}cyclopropyl 1,4'-bipiperidine-1'-carboxylate
1-{(2R,6R)-1-[(4-Chlorphenyl)sulfonyl]-6-propyl-2-piperidinyl}cyclopropyl-1,4'-bipiperidin-1'-carboxylat [German] [ACD/IUPAC Name]
1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-propylpiperidin-2-yl)cyclopropyl 4-(piperidin-1-yl)piperidine-1-carboxylate
CHEMBL239858

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 14.50
ACD/KOC (pH 5.5): 33.68
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 292.82
ACD/KOC (pH 7.4): 680.17
Polar Surface Area: 79 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 427.4±5.0 cm3

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