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 21471990

Basic information

Standard SMILES
Cc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCNC2
InChIKey
KLWYJWUJHCTRFA-UHFFFAOYSA-N
Molecular formula
C22H26FN3OS
Average molar mass
399.5 g/mol

Names & identifiers

Preferred name
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
6-fluoro-3-[1-[2-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole

Names & synonyms

SCHEMBL8917641KLWYJWUJHCTRFA-UHFFFAOYSA-N3-(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
21471990

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
69.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

7 records

Compound notes

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