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

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

  • Molecular FormulaC22H28ClN7O3S
  • Average mass506.021 Da
  • Monoisotopic mass505.166290 Da
  • ChemSpider ID124710978

More details:

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

4-[({4-[Butyl(methyl)amino]-6-[(3-chlor-4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-[({4-[Butyl(methyl)amino]-6-[(3-chloro-4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]benzenesulfonamide [ACD/IUPAC Name]
4-[({4-[Butyl(méthyl)amino]-6-[(3-chloro-4-méthoxyphényl)amino]-1,3,5-triazin-2-yl}amino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[[4-(butylmethylamino)-6-[(3-chloro-4-methoxyphenyl)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: 716.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.1±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 149.09
ACD/KOC (pH 5.5): 1082.87
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.43
ACD/KOC (pH 7.4): 1782.56
Polar Surface Area: 144 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

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