ChemSpider 2D Image | Methyl 5-[({4-methyl-5-[1-(phenylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate | C24H20N4O5S2

Methyl 5-[({4-methyl-5-[1-(phenylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate

  • Molecular FormulaC24H20N4O5S2
  • Average mass508.569 Da
  • Monoisotopic mass508.087524 Da
  • ChemSpider ID29093737

More details:

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

2-Furancarboxylic acid, 5-[[[4-methyl-5-[1-(phenylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester [ACD/Index Name]
5-[({4-Méthyl-5-[1-(phénylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[({4-methyl-5-[1-(phenylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate [ACD/IUPAC Name]
Methyl-5-[({4-methyl-5-[1-(phenylsulfonyl)-1H-indol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoat [German] [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: 775.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.0±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.36
ACD/KOC (pH 5.5): 2916.94
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.37
ACD/KOC (pH 7.4): 2916.99
Polar Surface Area: 143 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 350.2±7.0 cm3

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