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Search term: VLGIYSJSJHPDHN-QGZVFWFLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{2-(4-Amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butyn-2-ol | C23H25N7O3

4-{2-(4-Amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butyn-2-ol

  • Molecular FormulaC23H25N7O3
  • Average mass447.490 Da
  • Monoisotopic mass447.201874 Da
  • ChemSpider ID24673440

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Butyn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl- [ACD/Index Name]
4-{2-(4-Amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-{2-(4-Amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-{2-(4-Amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phényléthoxy]-1-éthyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-2-amino-1-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.6±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 47.43
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.28
ACD/KOC (pH 7.4): 432.25
Polar Surface Area: 151 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 324.6±7.0 cm3

Click to predict properties on the Chemicalize site


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