ChemSpider 2D Image | 1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate | C25H36ClN3O5S

1-{(2R,6R)-1-[(4-Chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl 8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

  • Molecular FormulaC25H36ClN3O5S
  • Average mass526.088 Da
  • Monoisotopic mass525.206421 Da
  • ChemSpider ID23298383

  • defined stereocentres - 2 of 4 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 8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate [ACD/IUPAC Name]
1-{(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethylpiperidin-2-yl}cyclopropyl 8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
1-{(2R,6R)-1-[(4-Chlorphenyl)sulfonyl]-6-ethyl-2-piperidinyl}cyclopropyl-8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-carboxylat [German] [ACD/IUPAC Name]
3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-(2-hydroxyethyl)-, 1-[(2R,6R)-1-[(4-chlorophenyl)sulfonyl]-6-ethyl-2-piperidinyl]cyclopropyl ester [ACD/Index Name]
8-(2-Hydroxyéthyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate 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 8-(2-hydroxyethyl)-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylate
CHEMBL392060

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

Density: 1.4±0.0 g/cm3
Boiling Point: 652.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 101.0±0.0 kJ/mol
Flash Point: 348.3±0.0 °C
Index of Refraction: 1.636
Molar Refractivity: 135.2±0.0 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 13.25
ACD/KOC (pH 5.5): 52.45
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 643.57
ACD/KOC (pH 7.4): 2547.51
Polar Surface Area: 99 Å2
Polarizability: 53.6±0.0 10-24cm3
Surface Tension: 65.8±0.0 dyne/cm
Molar Volume: 377.0±0.0 cm3

Click to predict properties on the Chemicalize site


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