Basic information
- CAS
62674-83-3- Standard SMILES
C[NH+](C)CCCC1C(=O)c2cc(Cl)ccc2Sc2ccccc21.[Cl-]- InChIKey
FIVPKLYQYDMTCG-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2NOS
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.0720909
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
- IUPAC
- 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium chloride
Names & synonyms
Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride8-Chloro-11-(3-(dimethylamino)propyl)dibenzo(b,f)thiepin-10(11H)-one hydrochloride62674-83-3RefChem:337163
Database identifiers
- CAS
62674-83-3- PubChem CID
- 44124
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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