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Search term: JJAHMLRQDQLJJE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}aniline | C20H19Cl2N3O3

4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}aniline

  • Molecular FormulaC20H19Cl2N3O3
  • Average mass420.289 Da
  • Monoisotopic mass419.080353 Da
  • ChemSpider ID23266099

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}aniline [ACD/IUPAC Name]
4-{[(2R,4S)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}aniline [French] [ACD/IUPAC Name]
4-{[(2R,4S)-2-(2,4-Dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}anilin [German] [ACD/IUPAC Name]
Benzenamine, 4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]- [ACD/Index Name]
4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)benzenamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL370867/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 50.23
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 161.10
ACD/KOC (pH 7.4): 1225.01
Polar Surface Area: 72 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 296.1±7.0 cm3

Click to predict properties on the Chemicalize site


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