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

HCID 21471841

Basic information

Standard SMILES
CCc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCN(C(C)=O)C2
InChIKey
RHFUZNAFMDZJOH-UHFFFAOYSA-N
Molecular formula
C25H30FN3O2S
Average molar mass
455.6 g/mol
Monoisotopic mass
455.20427654

Names & identifiers

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

Names & synonyms

SCHEMBL8920271RHFUZNAFMDZJOH-UHFFFAOYSA-N6-acetyl-2-ethyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Database identifiers

PubChem CID
21471841

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
77.8 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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