ChemSpider 2D Image | 3,5-dimethyl-N-[2-[[6-(2-pyridylamino)pyridazin-3-yl]amino]ethyl]isoxazole-4-sulfonamide | C16H19N7O3S

3,5-dimethyl-N-[2-[[6-(2-pyridylamino)pyridazin-3-yl]amino]ethyl]isoxazole-4-sulfonamide

  • Molecular FormulaC16H19N7O3S
  • Average mass389.432 Da
  • Monoisotopic mass389.127014 Da
  • ChemSpider ID21930677

More details:

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

1021038-76-5 [RN]
3,5-dimethyl-N-(2-((6-(pyridin-2-ylamino)pyridazin-3-yl)amino)ethyl)isoxazole-4-sulfonamide
3,5-dimethyl-N-[2-({6-[(pyridin-2-yl)amino]pyridazin-3-yl}amino)ethyl]-1,2-oxazole-4-sulfonamide
3,5-dimethyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 713.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 385.0±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 29.10
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 114.73
Polar Surface Area: 143 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 274.7±3.0 cm3

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