ChemSpider 2D Image | AZD 3514 | C25H32F3N7O2

AZD 3514

  • Molecular FormulaC25H32F3N7O2
  • Average mass519.563 Da
  • Monoisotopic mass519.256958 Da
  • ChemSpider ID28824128

More details:

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

1-{4-[2-(4-{1-[3-(Trifluormethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidinyl}phenoxy)ethyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidinyl}phenoxy)ethyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[2-(4-{1-[3-(Trifluorométhyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-pipéridinyl}phénoxy)éthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
1240299-33-5 [RN]
AZD 3514
Ethanone, 1-[4-[2-[4-[1-[7,8-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazin-6-yl]-4-piperidinyl]phenoxy]ethyl]-1-piperazinyl]- [ACD/Index Name]
[1240299-33-5] [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Androgen Receptor MedChem Express HY-16079
      AZD3514 is a potent and oral androgen receptor downregulator with Ki of 2.2 ?M and has ability of reducing AR protein expression.; IC50 Value: 2.2 uM (Ki); Target: androgen receptor; AZD3514 binds to the AR ligand binding domain and has selectivity for binding to AR over other nuclear hormone receptors [1]. MedChem Express HY-16079
      Others MedChem Express HY-16079

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 102.05
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.68
ACD/KOC (pH 7.4): 302.10
Polar Surface Area: 79 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 366.2±7.0 cm3

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