ChemSpider 2D Image | 3-[2-({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-[(4-isopropoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidine-2,4-dione | C23H32N8O4S

3-[2-({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-[(4-isopropoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID124665230

More details:

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

2,4-Thiazolidinedione, 3-[2-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-6-[[4-(1-methylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index Name]
3-[2-({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-[(4-isopropoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-[2-({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-[(4-isopropoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-[2-({4-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-6-[(4-isopropoxyphényl)amino]-1,3,5-triazin-2-yl}amino)éthyl]-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 32.75
Polar Surface Area: 161 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

Click to predict properties on the Chemicalize site


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