ChemSpider 2D Image | [6-Bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-4-yl]-N,N-dimethylmethanaminium | C22H25BrClN2O3S

[6-Bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-4-yl]-N,N-dimethylmethanaminium

  • Molecular FormulaC22H25BrClN2O3S
  • Average mass512.867 Da
  • Monoisotopic mass511.045227 Da
  • ChemSpider ID3632839

  • Charge - Charge

More details:

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

[6-Brom-2-{[(4-chlorphenyl)sulfanyl]methyl}-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-4-yl]-N,N-dimethylmethanaminium [German] [ACD/IUPAC Name]
[6-Bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-4-yl]-N,N-dimethylmethanaminium [ACD/IUPAC Name]
[6-Bromo-2-{[(4-chlorophényl)sulfanyl]méthyl}-3-(éthoxycarbonyl)-5-hydroxy-1-méthyl-1H-indol-4-yl]-N,N-diméthylméthanaminium [French] [ACD/IUPAC Name]
1H-Indole-4-methanaminium, 6-bromo-2-[[(4-chlorophenyl)thio]methyl]-3-(ethoxycarbonyl)-5-hydroxy-N,N,1-trimethyl- [ACD/Index Name]

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

ZINC00626302 [DBID]

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

Density:
Boiling Point: 613.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 324.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 195.21
ACD/KOC (pH 5.5): 406.51
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 761.08
ACD/KOC (pH 7.4): 1584.90
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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