2-Ethyl-6-fluoro-3-{1-[3-(4-fluoro-phenylsulfanyl)-propyl]-piperidin-4-yl}-1H-indole

HCID 57718837

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

Related reactions

4 records

Compound notes

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