ChemSpider 2D Image | 3-{2-[(4-{[4-(Diethylamino)phenyl]amino}-6-[4-(hydroxymethyl)-1-piperidinyl]-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidine-2,4-dione | C24H34N8O3S

3-{2-[(4-{[4-(Diethylamino)phenyl]amino}-6-[4-(hydroxymethyl)-1-piperidinyl]-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC24H34N8O3S
  • Average mass514.644 Da
  • Monoisotopic mass514.247437 Da
  • ChemSpider ID124665398

More details:

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

2,4-Thiazolidinedione, 3-[2-[[4-[[4-(diethylamino)phenyl]amino]-6-[4-(hydroxymethyl)-1-piperidinyl]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index Name]
3-{2-[(4-{[4-(Diethylamino)phenyl]amino}-6-[4-(hydroxymethyl)-1-piperidinyl]-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-{2-[(4-{[4-(Diethylamino)phenyl]amino}-6-[4-(hydroxymethyl)-1-piperidinyl]-1,3,5-triazin-2-yl)amino]ethyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-{2-[(4-{[4-(Diéthylamino)phényl]amino}-6-[4-(hydroxyméthyl)-1-pipéridinyl]-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: 741.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 29.30
Polar Surface Area: 152 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

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