Basic information
- Standard SMILES
O=C1O[C@]2(CN3CCC2CC3)CN1c1nnc(-c2ccncc2)s1- InChIKey
FXRXRMMVSDGTAV-MRXNPFEDSA-N- Molecular formula
- C16H17N5O2S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- (R)-3'-[5-(4-Pyridyl)-1,3,4-thiadiazol-2-yl]spiro[1-azabicyclo[2.2.2]octan-3,5'-oxazolidin]-2'-one
- IUPAC
- (5R)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
Names & synonyms
SCHEMBL4466547FXRXRMMVSDGTAV-MRXNPFEDSA-N(R)-3'-[5-(4-Pyridyl)-1,3,4-thiadiazol-2-yl]spiro[1-azabicyclo[2.2.2]octan-3,5'-oxazolidin]-2'-one
Database identifiers
- PubChem CID
- 57634239
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Related reactions
1 records
Compound notes
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