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
- Formal charge
- 0
- Complexity
- 337
Related reactions
6 records
Compound notes
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