ChemSpider 2D Image | {3-[(E)-{[3-({2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indol-1-yl}acetic acid | C24H21F3N6O3S

{3-[(E)-{[3-({2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indol-1-yl}acetic acid

  • Molecular FormulaC24H21F3N6O3S
  • Average mass530.522 Da
  • Monoisotopic mass530.134766 Da
  • ChemSpider ID125744000

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-[(E)-{[3-({2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-(trifluormethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{3-[(E)-{[3-({2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-1H-indol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Indole-1-acetic acid, 3-[(E)-[[3-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino]methyl]- [ACD/Index Name]
Acide {3-[(E)-{[3-({2-[(2,4-diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-5-(trifluorométhyl)-4H-1,2,4-triazol-4-yl]imino}méthyl]-1H-indol-1-yl}acétique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 18.45
ACD/KOC (pH 5.5): 111.50
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 140 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


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