Basic information
- Standard SMILES
ClCc1nc2cnc3ccsc3c2n1[C@H]1CC2CCC1C2- InChIKey
BUGJWQHMDUANQL-ZPPKWKGLSA-N- Molecular formula
- C16H16ClN3S
- Average molar mass
- 317.8 g/mol
Names & identifiers
- Preferred name
- 1-[(2S)-Bicyclo[2.2.1]hept-2-yl]-2-(chloromethyl)-1H-imidazo[4,5-d]thieno[3,2-b]pyridine
- IUPAC
- 3-[(2S)-2-bicyclo[2.2.1]heptanyl]-4-(chloromethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaene
Names & synonyms
SCHEMBL15655982BUGJWQHMDUANQL-ZPPKWKGLSA-N1-[(2S)-Bicyclo[2.2.1]hept-2-yl]-2-(chloromethyl)-1H-imidazo[4,5-d]thieno[3,2-b]pyridine
Database identifiers
- PubChem CID
- 86717469
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
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