ChemSpider 2D Image | [4-[6-(4-pyridylamino)pyridazin-3-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone | C21H19F3N6O

[4-[6-(4-pyridylamino)pyridazin-3-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC21H19F3N6O
  • Average mass428.410 Da
  • Monoisotopic mass428.157257 Da
  • ChemSpider ID21930756

More details:

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

(4-(6-(pyridin-4-ylamino)pyridazin-3-yl)piperazin-1-yl)(4-(trifluoromethyl)phenyl)methanone
1021039-21-3 [RN]
N-(pyridin-4-yl)-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine
N-4-pyridinyl-6-{4-[4-(trifluoromethyl)benzoyl]-1-piperazinyl}-3-pyridazinamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 29.73
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 55.77
ACD/KOC (pH 7.4): 571.62
Polar Surface Area: 74 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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