ChemSpider 2D Image | 2-(4-Azido-3-iodophenyl)ethyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C23H24ClIN4O2

2-(4-Azido-3-iodophenyl)ethyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC23H24ClIN4O2
  • Average mass550.820 Da
  • Monoisotopic mass550.063232 Da
  • ChemSpider ID19983257

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,5S)-3-(4-Chlorophényl)-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de 2-(4-azido-3-iodophényl)éthyle [French] [ACD/IUPAC Name]
2-(4-Azido-3-iodophenyl)ethyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
2-(4-Azido-3-iodphenyl)ethyl-(1R,2S,3S,5S)-3-(4-chlorphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, 2-(4-azido-3-iodophenyl)ethyl ester, (exo,exo)-
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, 2-(4-azido-3-iodophenyl)ethyl ester, (1R,2S,3S,5S)- [ACD/Index Name]
(1β,5β,8-anti)-8-Methyl-3β-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-2β-carboxylic acid 2-(4-azido-3-iodophenyl)ethyl ester
141782-67-4 [RN]

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

Rti 82 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 19.26
ACD/KOC (pH 5.5): 38.69
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 106.71
ACD/KOC (pH 7.4): 214.31
Polar Surface Area: 42 Å2
Polarizability:
Surface Tension:
Molar Volume:

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