Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S,4-trioxide, dihydrochloride
Basic information
- CAS
32859-73-7- Standard SMILES
C[N+]1([O-])CCN(C2Cc3ccccc3S(=O)(=O)c3ccc(Cl)cc32)CC1.Cl.Cl- InChIKey
FXTHUDHADBRNLJ-UHFFFAOYSA-N- Molecular formula
- C19H23Cl3N2O3S
- Average molar mass
- 465.8 g/mol
- Monoisotopic mass
- 464.049497
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S,4-trioxide, dihydrochloride
- IUPAC
- 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride
Names & synonyms
1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,S,4-trioxide 2HCl32859-73-7Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S,4-trioxide, dihydrochlorideRefChem:372446DTXSID809545122-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f]thiepine-5,5-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
32859-73-7- PubChem CID
- 208698
- DTXSID
DTXSID80954512
Properties
Computed structural properties
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
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Compound notes
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