ChemSpider 2D Image | (2R)-2-[5-(6-Amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1,2-propanediol | C22H25FN6O3S

(2R)-2-[5-(6-Amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1,2-propanediol

  • Molecular FormulaC22H25FN6O3S
  • Average mass472.536 Da
  • Monoisotopic mass472.169281 Da
  • ChemSpider ID35035712

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[5-(6-Amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1,2-propanediol [ACD/IUPAC Name]
(2R)-2-[5-(6-Amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophényl]éthoxy}-3-pyridinyl)-4-méthyl-1,3-thiazol-2-yl]-1,2-propanediol [French] [ACD/IUPAC Name]
(2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
(2R)-2-[5-(6-Amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorphenyl]ethoxy}-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1,2-propandiol [German] [ACD/IUPAC Name]
1,2-Propanediol, 2-[5-[6-amino-5-[(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy]-3-pyridinyl]-4-methyl-2-thiazolyl]-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 31.19
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 25.52
ACD/KOC (pH 7.4): 339.85
Polar Surface Area: 157 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

Click to predict properties on the Chemicalize site


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