Basic information
- Standard SMILES
Cl.O=C(NCCCSc1ccncc1)c1ccc(Cl)cc1- InChIKey
NJIWZJQIFCACDX-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2OS
- Average molar mass
- 343.3 g/mol
Names & identifiers
- Preferred name
- 4-[3-(4-Chlorobenzoylamino)propylthio]pyridine hydrochloride
- IUPAC
- 4-chloro-N-(3-pyridin-4-ylsulfanylpropyl)benzamide;hydrochloride
Names & synonyms
SCHEMBL8966805NJIWZJQIFCACDX-UHFFFAOYSA-N4-[3-(4-chlorobenzoylamino)propylthio]pyridine hydrochloride
Database identifiers
- PubChem CID
- 19079195
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 290
Related reactions
5 records
Compound notes
Loading…