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

HCID 21471902

Basic information

Standard SMILES
CC(=O)N1CCc2cc(C(=O)CCCCl)sc2C1
InChIKey
NDHFOLIMBHFLBI-UHFFFAOYSA-N
Molecular formula
C13H16ClNO2S
Average molar mass
285.79 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL8917878NDHFOLIMBHFLBI-UHFFFAOYSA-N6-acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridine6-acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Database identifiers

PubChem CID
21471902

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

6 records

Compound notes

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