ChemSpider 2D Image | 3-{(1S)-1-[3-(2-Methoxyethoxy)-6-quinolinyl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one | C23H22N6O3S

3-{(1S)-1-[3-(2-Methoxyethoxy)-6-quinolinyl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one

  • Molecular FormulaC23H22N6O3S
  • Average mass462.524 Da
  • Monoisotopic mass462.147400 Da
  • ChemSpider ID28509945

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{(1S)-1-[3-(2-Methoxyethoxy)-6-chinolinyl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-on [German] [ACD/IUPAC Name]
3-{(1S)-1-[3-(2-Méthoxyéthoxy)-6-quinoléinyl]éthyl}-5-(3-méthyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one [French] [ACD/IUPAC Name]
3-{(1S)-1-[3-(2-Methoxyethoxy)-6-quinolinyl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one [ACD/IUPAC Name]
3-{(1s)-1-[3-(2-Methoxyethoxy)quinolin-6-Yl]ethyl}-5-(3-Methyl-1,2-Thiazol-5-Yl)-3,5-Dihydro-4h-[1,2,3]triazolo[4,5-C]pyridin-4-One
4H-1,2,3-Triazolo[4,5-c]pyridin-4-one, 3,5-dihydro-3-[(1S)-1-[3-(2-methoxyethoxy)-6-quinolinyl]ethyl]-5-(3-methyl-5-isothiazolyl)- [ACD/Index Name]
0JL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.7±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 34.35
ACD/KOC (pH 5.5): 397.64
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.86
ACD/KOC (pH 7.4): 553.99
Polar Surface Area: 124 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

Click to predict properties on the Chemicalize site


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