6-Acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

HCID 21472016

Basic information

Standard SMILES
CCc1c(CCN2CCC(c3nsc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2
InChIKey
YDOADJIKFGQJMX-UHFFFAOYSA-N
Molecular formula
C25H30FN3OS2
Average molar mass
471.7 g/mol

Names & identifiers

Preferred name
6-Acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
IUPAC
1-[3-ethyl-2-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

Names & synonyms

SCHEMBL8918401YDOADJIKFGQJMX-UHFFFAOYSA-N6-acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Database identifiers

PubChem CID
21472016

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
92.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

Related reactions

3 records

Compound notes

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