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

HCID 21471925

Basic information

Standard SMILES
CC(=O)N1CCc2c(sc(C)c2CCN2CCC(c3noc4cc(F)ccc34)CC2)C1
InChIKey
IZQKUSREUNRFLA-UHFFFAOYSA-N
Molecular formula
C24H28FN3O2S
Average molar mass
441.6 g/mol

Names & identifiers

Preferred name
6-Acetyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl) ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
IUPAC
1-[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

Names & synonyms

SCHEMBL8916147IZQKUSREUNRFLA-UHFFFAOYSA-N6-acetyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl) ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine6-acetyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine

Database identifiers

PubChem CID
21471925

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
77.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

Related reactions

6 records

Linked notes

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