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

3-[2-({4-[Butyl(propyl)amino]-6-[(4-ethyl-3-nitrophenyl)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 ID124642128

More details:

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

2,4-Thiazolidinedione, 3-[2-[[4-(butylpropylamino)-6-[(4-ethyl-3-nitrophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index Name]
3-[2-({4-[Butyl(propyl)amino]-6-[(4-ethyl-3-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-[2-({4-[Butyl(propyl)amino]-6-[(4-ethyl-3-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-[2-({4-[Butyl(propyl)amino]-6-[(4-éthyl-3-nitrophényl)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: 1.3±0.1 g/cm3
Boiling Point: 683.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 429.24
ACD/KOC (pH 5.5): 2449.36
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 576.90
ACD/KOC (pH 7.4): 3291.97
Polar Surface Area: 174 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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