AC1MIC5N
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate|Piperazine, 1-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate|1-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H24ClFN2O3S2 |
|---|---|
| Molecular Weight | 458.0901 g/mol |
| LogP | 3.9789 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.0901 |
| Monoisotopic Mass | 458.0901 |
| Heavy Atoms | 29 |
| Complexity | 971.68677 |
Chemical Identifiers
| CAS Number | 58722-66-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O |
Product Overview
AC1MIC5N (CAS 58722-66-0), with molecular formula C20H24ClFN2O3S2 and molecular weight 458.0901 g/mol. IUPAC: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
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