Basic information
- Standard SMILES
Cl.O=C(C=Cc1ccccc1)NCCCSc1ccncc1- InChIKey
UBPCOOLXCZSDKX-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2OS
- Average molar mass
- 334.9 g/mol
Names & identifiers
- Preferred name
- 4-(3-(cinnamoylamino)propylthio]pyridine Hydrochloride
- IUPAC
- 3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
Names & synonyms
4-(3-(cinnamoylamino)propylthio]pyridine Hydrochloride4-[3-(cinnamoylamino)propylthio]pyridine hydrochlorideSCHEMBL8655943UBPCOOLXCZSDKX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67653231
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Related reactions
5 records
Linked notes
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