Piperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2)
Basic information
- CAS
39920-44-0- Standard SMILES
CN1CCN(C2Cc3ccccc3Sc3ccc(OCc4ccccc4)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
JETWRALGRUQIOP-UHFFFAOYSA-N- Molecular formula
- C28H36N2O7S3
- Average molar mass
- 608.8 g/mol
- Monoisotopic mass
- 608.16846501
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2)
- IUPAC
- methanesulfonic acid;1-methyl-4-(3-phenylmethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Names & synonyms
39920-44-08-Benzyloxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 2H2OPiperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2)RefChem:371914DTXSID90960447Methanesulfonic acid--1-[8-(benzyloxy)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine (2/1)
Database identifiers
- CAS
39920-44-0- PubChem CID
- 217941
- DTXSID
DTXSID90960447
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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