5-bromo-1-butyl-3-[(1-methylpiperidin-4-yl)thio]1H-indole
Basic information
- Standard SMILES
CCCCn1cc(SC2CCN(C)CC2)c2cc(Br)ccc21- InChIKey
DSEHASMXYWDLBU-UHFFFAOYSA-N- Molecular formula
- C18H25BrN2S
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 380.09218
Names & identifiers
- Preferred name
- 5-bromo-1-butyl-3-[(1-methylpiperidin-4-yl)thio]1H-indole
- IUPAC
- 5-bromo-1-butyl-3-(1-methylpiperidin-4-yl)sulfanylindole
Names & synonyms
CHEMBL436246SCHEMBL9171404DSEHASMXYWDLBU-UHFFFAOYSA-N5-bromo-1-butyl-3-[(1-methylpiperidin-4-yl)thio]1H-indole
Database identifiers
- PubChem CID
- 19936643
- ChEMBL
CHEMBL436246- Nikkaji
- J1.292.921H
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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