ChemSpider 2D Image | 4-[(4-{[2-(Dimethylamino)-2-(4-hydroxyphenyl)ethyl]amino}-6-[ethyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]benzenesulfonamide | C23H32N8O4S

4-[(4-{[2-(Dimethylamino)-2-(4-hydroxyphenyl)ethyl]amino}-6-[ethyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]benzenesulfonamide

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID124520739

More details:

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

4-[(4-{[2-(Dimethylamino)-2-(4-hydroxyphenyl)ethyl]amino}-6-[ethyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]benzenesulfonamide [ACD/IUPAC Name]
4-[(4-{[2-(Diméthylamino)-2-(4-hydroxyphényl)éthyl]amino}-6-[éthyl(2-hydroxyéthyl)amino]-1,3,5-triazin-2-yl)amino]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[(4-{[2-(Dimethylamino)-2-(4-hydroxyphenyl)ethyl]amino}-6-[ethyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[4-[[2-(dimethylamino)-2-(4-hydroxyphenyl)ethyl]amino]-6-[ethyl(2-hydroxyethyl)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: 764.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 416.3±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.20
Polar Surface Area: 178 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

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