ChemSpider 2D Image | 1-(2,5-Dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine | C20H14Cl3N7O

1-(2,5-Dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine

  • Molecular FormulaC20H14Cl3N7O
  • Average mass474.730 Da
  • Monoisotopic mass473.032532 Da
  • ChemSpider ID26325887

More details:

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

1-(2,5-Dichlor-3-{[5-chlor-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamin [German] [ACD/IUPAC Name]
1-(2,5-Dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine [ACD/IUPAC Name]
1-(2,5-Dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylméthyl)-1H-benzotriazol-4-yl]oxy}phényl)méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 2,5-dichloro-3-[[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-1,2,3-benzotriazol-4-yl]oxy]- [ACD/Index Name]
5MA

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.798
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 50.78
ACD/KOC (pH 7.4): 384.16
Polar Surface Area: 108 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 277.3±7.0 cm3

Click to predict properties on the Chemicalize site


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