1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Also Known As: Doclothepin|Duoclothepin|5-23-02-00428 (Beilstein Handbook Reference)|2-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin|1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine|Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-|1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methy|1-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
| Molecular Formula | C19H21ClN2S |
|---|---|
| Molecular Weight | 344.1114 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.1114 |
| Monoisotopic Mass | 344.1114 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 4789-63-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24 |
| InChIKey | RGQQPQPTXXRIIN-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (CAS 4789-63-3), with molecular formula C19H21ClN2S and molecular weight 344.1114 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.