Basic information
- Standard SMILES
c1ccc([C@]2(CCN3Cc4ccsc4C3)CCOC3(CCCC3)C2)nc1- InChIKey
UHUDMDSDXOYQQZ-OAQYLSRUSA-N- Molecular formula
- C22H28N2OS
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- 2-[(9R)-9-(2-{4H,5H,6H-thieno[2,3-c]pyrrol-5-yl}ethyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
- IUPAC
- 5-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-4,6-dihydrothieno[2,3-c]pyrrole
Names & synonyms
SCHEMBL12541070UHUDMDSDXOYQQZ-OAQYLSRUSA-N2-[(9R)-9-(2-{4H,5H,6H-thieno[2,3-c]pyrrol-5-yl}ethyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
Database identifiers
- PubChem CID
- 68313783
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
3 records
Compound notes
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