ChemSpider 2D Image | 3-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(1-piperidinyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidine-2,4-dione | C23H32N8O4S

3-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(1-piperidinyl)phenyl]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 ID124614227

More details:

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

2,4-Thiazolidinedione, 3-[2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-(1-piperidinyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index Name]
3-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(1-piperidinyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(1-piperidinyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-{2-[(4-[Bis(2-hydroxyéthyl)amino]-6-{[4-(1-pipéridinyl)phényl]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: 793.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.7±35.7 °C
Index of Refraction: 1.708
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 35.32
Polar Surface Area: 172 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 87.2±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

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