RefChem:372032
1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(2-chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate|2-Chloro-7-fluoro-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonate|1-(2-Chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine monomethanesulfonate|1-(2-chloro-7-fluorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(2-chloro-7-fluorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H22ClFN2O3S2 |
|---|---|
| Molecular Weight | 456.07443 g/mol |
| LogP | 4.1932 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.07443 |
| Monoisotopic Mass | 456.07443 |
| Heavy Atoms | 29 |
| Complexity | 1028.017 |
Chemical Identifiers
| CAS Number | 58722-76-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O |
Product Overview
RefChem:372032 (CAS 58722-76-2), with molecular formula C20H22ClFN2O3S2 and molecular weight 456.07443 g/mol. IUPAC: 1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.