ChemSpider 2D Image | 2-[(3-{(E)-[2,4-Dioxo-3-(2-propyn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile | C23H15N3O2S

2-[(3-{(E)-[2,4-Dioxo-3-(2-propyn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

  • Molecular FormulaC23H15N3O2S
  • Average mass397.449 Da
  • Monoisotopic mass397.088501 Da
  • ChemSpider ID21825454

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3-{(E)-[2,4-Dioxo-3-(2-propin-1-yl)-1,3-thiazolidin-5-yliden]methyl}-1H-indol-1-yl)methyl]benzonitril [German] [ACD/IUPAC Name]
2-[(3-{(E)-[2,4-Dioxo-3-(2-propyn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile [ACD/IUPAC Name]
2-[(3-{(E)-[2,4-Dioxo-3-(2-propyn-1-yl)-1,3-thiazolidin-5-ylidène]méthyl}-1H-indol-1-yl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[3-[(E)-[2,4-dioxo-3-(2-propyn-1-yl)-5-thiazolidinylidene]methyl]-1H-indol-1-yl]methyl]- [ACD/Index Name]
2-[(3-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
2-[3-(2,4-Dioxo-3-prop-2-ynyl-thiazolidin-5-ylidenemethyl)-indol-1-ylmethyl]-benzonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.28
ACD/KOC (pH 5.5): 2984.97
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 502.28
ACD/KOC (pH 7.4): 2984.97
Polar Surface Area: 91 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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