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

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

  • Molecular FormulaC22H28ClN7O3S
  • Average mass506.021 Da
  • Monoisotopic mass505.166290 Da
  • ChemSpider ID124518476

More details:

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

4-({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorbenzyl)amino]-1,3,5-triazin-2-yl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
4-({4-[Butyl(2-hydroxyethyl)amino]-6-[(4-chlorobenzyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide [ACD/IUPAC Name]
4-({4-[Butyl(2-hydroxyéthyl)amino]-6-[(4-chlorobenzyl)amino]-1,3,5-triazin-2-yl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[4-[butyl(2-hydroxyethyl)amino]-6-[[(4-chlorophenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]- [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: 745.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.9±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: 2.30
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 118.81
ACD/KOC (pH 5.5): 1029.13
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.53
ACD/KOC (pH 7.4): 1147.96
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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