ChemSpider 2D Image | 5-Chloro-3-[(E)-{[3-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indole-2-carboxylic acid | C20H14ClFN6O3S

5-Chloro-3-[(E)-{[3-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC20H14ClFN6O3S
  • Average mass472.880 Da
  • Monoisotopic mass472.052063 Da
  • ChemSpider ID125748271

  • 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-chloro-3-[(E)-[[3-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-4-yl]imino]methyl]- [ACD/Index Name]
5-Chlor-3-[(E)-{[3-({2-[(4-fluorphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-[(E)-{[3-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-[(E)-{[3-({2-[(4-fluorophényl)amino]-2-oxoéthyl}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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 12.33
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 151 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 293.1±7.0 cm3

Click to predict properties on the Chemicalize site


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