RefChem:371896
methanesulfonic acid;1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide methanesulfonate|Piperazine, 1-(10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, monomethanesulfonate|Methanesulfonic acid--4-methoxy-11-(4-methylpiperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1)|methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
| Molecular Formula | C21H28N2O5S2 |
|---|---|
| Molecular Weight | 452.14395 g/mol |
| LogP | 2.2105 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.14395 |
| Monoisotopic Mass | 452.14395 |
| Heavy Atoms | 30 |
| Complexity | 1009.8068 |
Chemical Identifiers
| CAS Number | 58722-19-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC.CS(=O)(=O)O |
Product Overview
RefChem:371896 (CAS 58722-19-3), with molecular formula C21H28N2O5S2 and molecular weight 452.14395 g/mol. IUPAC: methanesulfonic acid;1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
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