Basic information
- Standard SMILES
CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1- InChIKey
HUEVBCXRDKKBRQ-UHFFFAOYSA-N- Molecular formula
- C24H28F2N2S
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.1941264
Names & identifiers
- Preferred name
- 2-Ethyl-6-fluoro-3-{1-[3-(4-fluoro-phenylsulfanyl)-propyl]-piperidin-4-yl}-1H-indole
- IUPAC
- 2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
Names & synonyms
CHEMBL3355932SCHEMBL1097478HUEVBCXRDKKBRQ-UHFFFAOYSA-NBDBM500411502-Ethyl-6-fluoro-3-{1-[3-(4-fluoro-phenylsulfanyl)-propyl]-piperidin-4-yl}-1H-indole
Database identifiers
- PubChem CID
- 57718837
- ChEMBL
CHEMBL3355932
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Related reactions
4 records
Compound notes
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