Dehydrochlothepin
1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Dehydrochlothepin|Dehydroclothepin|KST-1B5473|8-Chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepin|5-23-02-00448 (Beilstein Handbook Reference)|1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-methyl-|1-(8-Chlorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine|8-Chlor-10-(4-methylpiperazino)dibenzo(b,f)thiepin|2-Chloro-11-(4-methylpiperazino)dibenzo[b,f]thiepin|8-CHLORO-10-(4-METHYLPIPERAZINO)DIBENZO(B,F)THIEPINE|8-CHLORO-10-(4-METHYLPIPERAZINYL)DIBENZO(B,F)THIEPIN|1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine|Piperazine, 1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methyl-|1-{6-chloro-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-9-yl}-4-methylpiperazine
| Molecular Formula | C19H19ClN2S |
|---|---|
| Molecular Weight | 342.09573 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.09573 |
| Monoisotopic Mass | 342.09573 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 54986-53-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | QBQNBLXYDPHRPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydrochlothepin (CAS 54986-53-7), with molecular formula C19H19ClN2S and molecular weight 342.09573 g/mol. IUPAC: 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
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