ChemSpider 2D Image | 5-{[4-{[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-6-(4-hydroxy-1-piperidinyl)-1,3,5-triazin-2-yl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione | C22H24N8O5S

5-{[4-{[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-6-(4-hydroxy-1-piperidinyl)-1,3,5-triazin-2-yl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC22H24N8O5S
  • Average mass512.542 Da
  • Monoisotopic mass512.159058 Da
  • ChemSpider ID124608476

More details:

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

1H-Isoindole-1,3(2H)-dione, 5-[[4-[[2-(2,4-dioxo-3-thiazolidinyl)ethyl]amino]-6-(4-hydroxy-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-methyl- [ACD/Index Name]
5-{[4-{[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-6-(4-hydroxy-1-piperidinyl)-1,3,5-triazin-2-yl]amino}-2-methyl-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
5-{[4-{[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-6-(4-hydroxy-1-piperidinyl)-1,3,5-triazin-2-yl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
5-{[4-{[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)éthyl]amino}-6-(4-hydroxy-1-pipéridinyl)-1,3,5-triazin-2-yl]amino}-2-méthyl-1H-isoindole-1,3(2H)-dione [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: 783.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.4±35.7 °C
Index of Refraction: 1.745
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.92
Polar Surface Area: 186 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 98.2±3.0 dyne/cm
Molar Volume: 321.8±3.0 cm3

Click to predict properties on the Chemicalize site


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