Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
Basic information
- CAS
31695-91-7- Standard SMILES
CN1CCN(C2=Cc3ccccc3Sc3ccc(N)cc32)CC1.CS(=O)(=O)O- InChIKey
UGEIWEOPRYKPFK-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3S2
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.13373402
Names & identifiers
- Preferred name
- Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
- IUPAC
- methanesulfonic acid;5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine
Names & synonyms
31695-91-71-(8-Aminodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonatePiperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonateRefChem:372427DTXSID80953646Methanesulfonic acid--11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepin-2-amine (1/1)
Database identifiers
- CAS
31695-91-7- PubChem CID
- 208145
- DTXSID
DTXSID80953646
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 536
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Related reactions
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Compound notes
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