4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-[1,4]diazapan-1-yl]butylamine
Basic information
- Standard SMILES
NCCCCN1CCCN(c2csc3cc(F)ccc23)CC1- InChIKey
UWNHWLXXCDGTPZ-UHFFFAOYSA-N- Molecular formula
- C17H24FN3S
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.16749711
Names & identifiers
- Preferred name
- 4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-[1,4]diazapan-1-yl]butylamine
- IUPAC
- 4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butan-1-amine
Names & synonyms
SCHEMBL4299920UWNHWLXXCDGTPZ-UHFFFAOYSA-N4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-[1,4]diazapan-1-yl]butylamine
Database identifiers
- PubChem CID
- 57722596
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
3 records
Compound notes
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