Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride
Basic information
- CAS
62674-82-2- Standard SMILES
C[NH+](C)CCC1C(=O)c2cc(Cl)ccc2Sc2ccccc21.[Cl-]- InChIKey
RYTWTBSMAQDQLW-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2NOS
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.0564408
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride
- IUPAC
- 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride
Names & synonyms
Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride8-Chloro-11-(2-dimethylaminoethyl)dibenzo(b,f)thiepin-10(11H)-one hydrochloride62674-82-2RefChem:337161
Database identifiers
- CAS
62674-82-2- PubChem CID
- 44122
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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