AC1MIEOJ
methanesulfonic acid;1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate|Piperazine, 1-(10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate|Methanesulfonic acid--1-methyl-4-[8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2/1)|methanesulfonic acid; 1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine|Piperazine, 1-[10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-, dimethanesulfonate
| Molecular Formula | C24H36N2O6S3 |
|---|---|
| Molecular Weight | 544.1735 g/mol |
| LogP | 3.8138 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 544.1735 |
| Monoisotopic Mass | 544.1735 |
| Heavy Atoms | 35 |
| Complexity | 1145.4902 |
Chemical Identifiers
| CAS Number | 55038-75-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
AC1MIEOJ (CAS 55038-75-0), with molecular formula C24H36N2O6S3 and molecular weight 544.1735 g/mol. IUPAC: methanesulfonic acid;1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.