ChemSpider 2D Image | 5,6-Dimethoxy-1-methyl-3-[(E)-({3-methyl-5-[(2,3,6-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-1H-indole-2-carboxylic acid | C23H20Cl3N5O4S

5,6-Dimethoxy-1-methyl-3-[(E)-({3-methyl-5-[(2,3,6-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC23H20Cl3N5O4S
  • Average mass568.860 Da
  • Monoisotopic mass567.030151 Da
  • ChemSpider ID125770888

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-2-carboxylic acid, 5,6-dimethoxy-1-methyl-3-[(E)-[[3-methyl-5-[[(2,3,6-trichlorophenyl)methyl]thio]-4H-1,2,4-triazol-4-yl]imino]methyl]- [ACD/Index Name]
5,6-Dimethoxy-1-methyl-3-[(E)-({3-methyl-5-[(2,3,6-trichlorbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
5,6-Dimethoxy-1-methyl-3-[(E)-({3-methyl-5-[(2,3,6-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5,6-diméthoxy-1-méthyl-3-[(E)-({3-méthyl-5-[(2,3,6-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)méthyl]-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.5±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 179.52
ACD/KOC (pH 5.5): 347.77
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 20.40
ACD/KOC (pH 7.4): 39.52
Polar Surface Area: 129 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 370.5±7.0 cm3

Click to predict properties on the Chemicalize site


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