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Search term: VYNIUBZKEWJOJP-IFMALSPDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-({[(2R,4R)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline | C22H24ClN3O2S

4-({[(2R,4R)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline

  • Molecular FormulaC22H24ClN3O2S
  • Average mass429.963 Da
  • Monoisotopic mass429.127777 Da
  • ChemSpider ID23163086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-({[(2R,4R)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline [ACD/IUPAC Name]
4-({[(2R,4R)-2-[2-(4-Chlorophényl)éthyl]-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthyl}sulfanyl)aniline [French] [ACD/IUPAC Name]
4-({[(2R,4R)-2-[2-(4-Chlorphenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)anilin [German] [ACD/IUPAC Name]
Benzenamine, 4-[[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]- [ACD/Index Name]
4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine
4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305220/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±27.3 °C
Index of Refraction: 1.644
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 15.28
ACD/KOC (pH 5.5): 98.35
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 291.14
ACD/KOC (pH 7.4): 1873.22
Polar Surface Area: 88 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


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