Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochloride
Basic information
- CAS
32859-71-5- Standard SMILES
C[N+]1([O-])CCN(C2Cc3ccccc3S(=O)c3ccc(Cl)cc32)CC1.Cl.Cl- InChIKey
LXFFNLOEJDDDHR-UHFFFAOYSA-N- Molecular formula
- C19H23Cl3N2O2S
- Average molar mass
- 449.8 g/mol
- Monoisotopic mass
- 448.054582
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochloride
- IUPAC
- 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
- English name
- 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,4-dioxide 2HCl
- Molecular weight
- 0
Names & synonyms
1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,4-dioxide 2HCl32859-71-5Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochlorideRefChem:372445DTXSID209545112-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--hydrogen chloride (1/2)
Database identifiers
- CAS
32859-71-5- PubChem CID
- 208696
- DTXSID
DTXSID20954511
Properties
Computed structural properties
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…