RefChem:1095787
(E)-but-2-enedioic acid;1-(2-chloro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
Also Known As: 2-Chloro-4-(4-methylpiperazino)-4,5-dihydrobenzo(b)thieno(3,2-f)thiepin maleate|Piperazine, 1-(2-chloro-4,5-dihydrothieno(2,3-b)(1)benzothiepin-4-yl)-4-methyl-, maleate (1:1)|1-(2-Chloro-4,5-dihydrothieno(2,3-b)(1)benzothiepin-4-yl)-4-methylpiperazine maleate|(E)-but-2-enedioic acid; 1-(2-chloro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
| Molecular Formula | C21H23ClN2O4S2 |
|---|---|
| Molecular Weight | 466.07877 g/mol |
| LogP | 4.1091 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.07877 |
| Monoisotopic Mass | 466.07877 |
| Heavy Atoms | 30 |
| Complexity | 922.83765 |
Chemical Identifiers
| CAS Number | 24645-08-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(S4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095787 (CAS 24645-08-7), with molecular formula C21H23ClN2O4S2 and molecular weight 466.07877 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(2-chloro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine.
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