RefChem:372445
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,4-dioxide 2HCl|Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochloride|4-(8-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-methylpiperazine 1-oxide dihydrochloride|2-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--hydrogen chloride (1/2)|3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide dihydrochloride|Piperazine,1-(8-chloro-10,11-dihydro-5-oxidodibenzo[b,f]thiepin-10-yl)-4-methyl-, 4-oxide,hydrochloride (1:2)
| Molecular Formula | C19H23Cl3N2O2S |
|---|---|
| Molecular Weight | 448.0546 g/mol |
| LogP | 4.2075 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.0546 |
| Monoisotopic Mass | 448.0546 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 377-33-3 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)[O-].Cl.Cl |
| InChIKey | LXFFNLOEJDDDHR-UHFFFAOYSA-N |
Product Overview
RefChem:372445 (CAS 377-33-3), with molecular formula C19H23Cl3N2O2S and molecular weight 448.0546 g/mol. IUPAC: 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride.