8-{[(2s)-8-Methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl}-3-(2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
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Basic information
- Standard SMILES
COc1cccc2c1O[C@@H](CN1C3CCC1CC(O)(c1ccccn1)C3)CO2- InChIKey
WFPWGYYPRZNZTA-FRHDNRDCSA-N- Molecular formula
- C22H26N2O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.18925731
Names & identifiers
- Preferred name
- 8-{[(2s)-8-Methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl}-3-(2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
- IUPAC
- 8-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
Names & synonyms
SCHEMBL6743560WFPWGYYPRZNZTA-FRHDNRDCSA-N8-{[(2s)-8-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl}-3-(2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
Database identifiers
- PubChem CID
- 10293263
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
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Related reactions
1 records
Compound notes
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