ChemSpider 2D Image | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | C23H22ClN3O2

3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol

  • Molecular FormulaC23H22ClN3O2
  • Average mass407.893 Da
  • Monoisotopic mass407.140045 Da
  • ChemSpider ID24705634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[3-Chlor-5-(5-{[(1S)-1-phenylethyl]amino}[1,2]oxazolo[5,4-c]pyridin-3-yl)phenyl]-1-propanol [German] [ACD/IUPAC Name]
3-[3-Chloro-5-(5-{[(1S)-1-phenylethyl]amino}[1,2]oxazolo[5,4-c]pyridin-3-yl)phenyl]-1-propanol [ACD/IUPAC Name]
3-[3-Chloro-5-(5-{[(1S)-1-phényléthyl]amino}[1,2]oxazolo[5,4-c]pyridin-3-yl)phényl]-1-propanol [French] [ACD/IUPAC Name]
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
Benzenepropanol, 3-chloro-5-[5-[[(1S)-1-phenylethyl]amino]isoxazolo[5,4-c]pyridin-3-yl]- [ACD/Index Name]
1FR
2-amino-isoxazolopyridine, 13
3-(3-chloro-5-(5-((S)-1-phenylethylamino)isoxazolo[5,4-c]pyridin-3-yl)phenyl)propan-1-ol
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}-[1,2]oxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490814/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1196.50
ACD/KOC (pH 5.5): 5530.38
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1215.93
ACD/KOC (pH 7.4): 5620.19
Polar Surface Area: 71 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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