ChemSpider 2D Image | 4-[(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-6-[4-(2-pyridinyl)-1-piperazinyl]-1,3,5-triazin-2-yl)amino]benzenesulfonamide | C22H29N9O4S

4-[(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-6-[4-(2-pyridinyl)-1-piperazinyl]-1,3,5-triazin-2-yl)amino]benzenesulfonamide

  • Molecular FormulaC22H29N9O4S
  • Average mass515.589 Da
  • Monoisotopic mass515.206299 Da
  • ChemSpider ID124516671

More details:

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

4-[(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-6-[4-(2-pyridinyl)-1-piperazinyl]-1,3,5-triazin-2-yl)amino]benzenesulfonamide [ACD/IUPAC Name]
4-[(4-{[2-(2-Hydroxyéthoxy)éthyl]amino}-6-[4-(2-pyridinyl)-1-pipérazinyl]-1,3,5-triazin-2-yl)amino]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-6-[4-(2-pyridinyl)-1-piperazinyl]-1,3,5-triazin-2-yl)amino]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[4-[[2-(2-hydroxyethoxy)ethyl]amino]-6-[4-(2-pyridinyl)-1-piperazinyl]-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: 817.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.3±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 180 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 81.6±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

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