AC1MIIQT
1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(7,8-difluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate|7,8-Difluoro-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonate|1-(7,8-Difluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate|1-(7,8-difluorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(7,8-difluorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H22F2N2O3S2 |
|---|---|
| Molecular Weight | 440.104 g/mol |
| LogP | 3.6789 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.104 |
| Monoisotopic Mass | 440.104 |
| Heavy Atoms | 29 |
| Complexity | 1026.017 |
Chemical Identifiers
| CAS Number | 60811-11-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F.CS(=O)(=O)O |
Product Overview
AC1MIIQT (CAS 60811-11-2), with molecular formula C20H22F2N2O3S2 and molecular weight 440.104 g/mol. IUPAC: 1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
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