ChemSpider 2D Image | (R)-fenticonazole | C24H20Cl2N2OS

(R)-fenticonazole

  • Molecular FormulaC24H20Cl2N2OS
  • Average mass455.399 Da
  • Monoisotopic mass454.067352 Da
  • ChemSpider ID34448806
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-fenticonazole
1-[(2R)-2-(2,4-Dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazole [ACD/IUPAC Name]
1-[(2R)-2-(2,4-Dichlorophényl)-2-{[4-(phénylsulfanyl)benzyl]oxy}éthyl]-1H-imidazole [French] [ACD/IUPAC Name]
1-[(2R)-2-(2,4-Dichlorphenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazol [German] [ACD/IUPAC Name]
1268165-29-2 [RN]
1H-Imidazole, 1-[(2R)-2-(2,4-dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]- [ACD/Index Name]
72479-26-6 [RN]
Fenticonazole [Wiki]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83604
UNII-QG05NRB077

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

TMD00AA09L [DBID]
  • Miscellaneous
    • Chemical Class:

      A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (<stereo>R</stereo>)-enantiomer of fenticonazole. ChEBI CHEBI:83604

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3441.28
ACD/KOC (pH 5.5): 5435.50
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 44668.27
ACD/KOC (pH 7.4): 70553.63
Polar Surface Area: 52 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 359.8±7.0 cm3

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