Basic information
- CAS
60969-87-1- Standard SMILES
Br.Br.CN1CCN(C2Cc3cc(O)c(O)cc3Sc3ccc(Cl)cc32)CC1- InChIKey
VXVXUPZLYYGVQY-UHFFFAOYSA-N- Molecular formula
- C19H23Br2ClN2O2S
- Average molar mass
- 538.7 g/mol
- Monoisotopic mass
- 535.95355
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-8-chloro-10-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (1:2:2)
- IUPAC
- 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide
Names & synonyms
8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O60969-87-1Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-8-chloro-10-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (1:2:2)RefChem:337183DTXSID509764488-Chloro-10-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2,3-diol--hydrogen bromide (1/2)
Database identifiers
- CAS
60969-87-1- PubChem CID
- 3045600
- DTXSID
DTXSID50976448
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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