ChemSpider 2D Image | 2-[(Carbamoyloxy)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-isopropyl-1-(4-pyridinylmethyl)-1H-imidazol-3-ium | C20H21Cl2N4O2S

2-[(Carbamoyloxy)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-isopropyl-1-(4-pyridinylmethyl)-1H-imidazol-3-ium

  • Molecular FormulaC20H21Cl2N4O2S
  • Average mass452.377 Da
  • Monoisotopic mass451.075684 Da
  • ChemSpider ID21201626

  • Charge - Charge

More details:

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

1H-Imidazolium, 2-[[(aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)- [ACD/Index Name]
2-[(Carbamoyloxy)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-isopropyl-1-(4-pyridinylmethyl)-1H-imidazol-3-ium [ACD/IUPAC Name]
2-[(Carbamoyloxy)méthyl]-5-[(3,5-dichlorophényl)sulfanyl]-4-isopropyl-1-(4-pyridinylméthyl)-1H-imidazol-3-ium [French] [ACD/IUPAC Name]
2-[(Carbamoyloxy)methyl]-5-[(3,5-dichlorphenyl)sulfanyl]-4-isopropyl-1-(4-pyridinylmethyl)-1H-imidazol-3-ium [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 387.25
ACD/KOC (pH 5.5): 2083.91
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 704.90
ACD/KOC (pH 7.4): 3793.28
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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