4-[4-(6-Fluoro-benzo[b]thiophen-3yl)-[1,4]diazapan-1-yl]butyronitrile
Basic information
- Standard SMILES
N#CCCCN1CCCN(c2csc3cc(F)ccc23)CC1- InChIKey
WYPVNXPAXJGEPL-UHFFFAOYSA-N- Molecular formula
- C17H20FN3S
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(6-Fluoro-benzo[b]thiophen-3yl)-[1,4]diazapan-1-yl]butyronitrile
- IUPAC
- 4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butanenitrile
Names & synonyms
SCHEMBL4445780WYPVNXPAXJGEPL-UHFFFAOYSA-N4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-[1,4]diazapan-1-yl]butyronitrile4-[4-(6-Fluoro-benzo[b]thiophen-3yl)-[1,4]diazapan-1-yl]butyronitrile4-[4-(6-Fluorobenzo[b]thiophen-3-yl)-[1,4]diazapan-1-yl]butyronitrile
Database identifiers
- PubChem CID
- 57722559
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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