ChemSpider 2D Image | MFCD00731210 | C22H24BrClN2O3S

MFCD00731210

  • Molecular FormulaC22H24BrClN2O3S
  • Average mass511.860 Da
  • Monoisotopic mass510.037933 Da
  • ChemSpider ID850439

More details:

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

1H-Indole-3-carboxylic acid, 6-bromo-2-[[(4-chlorophenyl)thio]methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-, ethyl ester [ACD/Index Name]
6-Bromo-2-{[(4-chlorophényl)sulfanyl]méthyl}-4-[(diméthylamino)méthyl]-5-hydroxy-1-méthyl-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
ethyl 6-bromo-2-{[(4-chlorophenyl)thio]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Ethyl-6-brom-2-{[(4-chlorphenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD00731210
ethyl 4-[(dimethylamino)methyl]-6-bromo-2-[(4-chlorophenylthio)methyl]-5-hydro xy-1-methylindole-3-carboxylate
ethyl 4-[(dimethylamino)methyl]-6-bromo-2-[(4-chlorophenylthio)methyl]-5-hydroxy-1-methylindole-3-carboxylate
ETHYL 6-BROMO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-4-[(DIMETHYLAMINO)METHYL]-5-HYDROXY-1-METHYL-1H-INDOLE-3-CARBOXYLATE
ETHYL 6-BROMO-2-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-4-[(DIMETHYLAMINO)METHYL]-5-HYDROXY-1-METHYLINDOLE-3-CARBOXYLATE

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

BAS 00229095 [DBID]

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

Density: 1.4±0.1 g/cm3
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: 1.628
Molar Refractivity: 126.5±0.5 cm3
#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: 80 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 356.5±7.0 cm3

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