ChemSpider 2D Image | 4-{2-(4-Amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-amino-1-phenylpropoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butyn-2-ol | C24H29N7O3

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

  • Molecular FormulaC24H29N7O3
  • Average mass463.532 Da
  • Monoisotopic mass463.233185 Da
  • ChemSpider ID35035966

  • 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-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-amino-1-phenylpropoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl- [ACD/Index Name]
4-[2-(4-Amino-2,5-Dihydro-1,2,5-Oxadiazol-3-Yl)-6-{[(1s)-3-Amino-1-Phenylpropyl]oxy}-1-Ethyl-1h-Imidazo[4,5-C]pyridin-4-Yl]-2-Methylbut-3-Yn-2-Ol
4-{2-(4-Amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-amino-1-phenylpropoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-{2-(4-Amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-amino-1-phenylpropoxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-{2-(4-Amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-amino-1-phénylpropoxy]-1-éthyl-1H-imidazo[4,5-c]pyridin-4-yl}-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC 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: 653.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.2±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 126.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.69
Polar Surface Area: 146 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 340.7±7.0 cm3

Click to predict properties on the Chemicalize site


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