ChemSpider 2D Image | 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2h-1,2,3-Triazol-2-Yl)phenyl)ethoxy)pyridin-3-Yl)-4-Methylthiazol-2-Yl)propan-2-Ol | C22H23FN6O2S

2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2h-1,2,3-Triazol-2-Yl)phenyl)ethoxy)pyridin-3-Yl)-4-Methylthiazol-2-Yl)propan-2-Ol

  • Molecular FormulaC22H23FN6O2S
  • Average mass454.520 Da
  • Monoisotopic mass454.158722 Da
  • ChemSpider ID31133440

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2h-1,2,3-Triazol-2-Yl)phenyl)ethoxy)pyridin-3-Yl)-4-Methylthiazol-2-Yl)propan-2-Ol
2-[5-(6-Amino-5-{(1R)-1-[5-fluor-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-2-propanol [German] [ACD/IUPAC Name]
2-[5-(6-Amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-2-propanol [ACD/IUPAC Name]
2-[5-(6-Amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phényl]éthoxy}-3-pyridinyl)-4-méthyl-1,3-thiazol-2-yl]-2-propanol [French] [ACD/IUPAC Name]
2-Thiazolemethanol, 5-[6-amino-5-[(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]-α,α,4-trimethyl- [ACD/Index Name]
AWF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.2±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 16.93
ACD/KOC (pH 5.5): 132.32
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 168.92
ACD/KOC (pH 7.4): 1320.20
Polar Surface Area: 140 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 321.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement