ChemSpider 2D Image | 4-[({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzenesulfonamide | C22H28ClN7O3S

4-[({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzenesulfonamide

  • Molecular FormulaC22H28ClN7O3S
  • Average mass506.021 Da
  • Monoisotopic mass505.166290 Da
  • ChemSpider ID124583783

More details:

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

4-[({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzenesulfonamide [ACD/IUPAC Name]
4-[({4-[Butyl(2-hydroxyéthyl)amino]-6-[(4-chlorophényl)amino]-1,3,5-triazin-2-yl}amino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[[4-[butyl(2-hydroxyethyl)amino]-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]- [ACD/Index 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: 749.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 95.20
ACD/KOC (pH 5.5): 868.48
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.49
ACD/KOC (pH 7.4): 1007.92
Polar Surface Area: 155 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

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