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Search term: CNOPXBIRDNNWIV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{(1R)-1-[2-(1,3-Dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]-2-pyridinamine | C22H22FN5O3S

3-{(1R)-1-[2-(1,3-Dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]-2-pyridinamine

  • Molecular FormulaC22H22FN5O3S
  • Average mass455.505 Da
  • Monoisotopic mass455.142731 Da
  • ChemSpider ID35035998

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinamine, 3-[(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy]-5-[3-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-{(1R)-1-[2-(1,3-Dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]-2-pyridinamine [ACD/IUPAC Name]
3-{(1R)-1-[2-(1,3-Dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophényl]éthoxy}-5-[3-(méthylsulfonyl)phényl]-2-pyridinamine [French] [ACD/IUPAC Name]
3-{(1r)-1-[2-(1,3-Dihydro-2h-1,2,3-Triazol-2-Yl)-5-Fluorophenyl]ethoxy}-5-[3-(Methylsulfonyl)phenyl]pyridin-2-Amine
3-{(1R)-1-[2-(1,3-Dihydro-2H-1,2,3-triazol-2-yl)-5-fluorphenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]-2-pyridinamin [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 672.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.67
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 18.19
ACD/KOC (pH 7.4): 254.33
Polar Surface Area: 118 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 338.1±3.0 cm3

Click to predict properties on the Chemicalize site


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