5-Acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

HCID 21471863
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Basic information

Standard SMILES
CC(=O)N1CCc2sc(C(=O)CCCCl)cc2C1
InChIKey
JYRWCERURQEDNE-UHFFFAOYSA-N
Molecular formula
C13H16ClNO2S
Average molar mass
285.79 g/mol

Names & identifiers

Preferred name
5-Acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
IUPAC
1-(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-chlorobutan-1-one

Names & synonyms

SCHEMBL8917672JYRWCERURQEDNE-UHFFFAOYSA-N5-acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Database identifiers

PubChem CID
21471863

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
65.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

4 records
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Compound notes

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