RefChem:1056677
(E)-but-2-enedioic acid;3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 4-(8-Chlorodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate|1-Piperazinepropanol, 4-(8-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)|8-Chloro-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate|(E)-but-2-enedioic acid; 3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
| Molecular Formula | C25H27ClN2O5S |
|---|---|
| Molecular Weight | 502.13293 g/mol |
| LogP | 4.0145 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.13293 |
| Monoisotopic Mass | 502.13293 |
| Heavy Atoms | 34 |
| Complexity | 1064.7257 |
Chemical Identifiers
| CAS Number | 41931-75-3 |
|---|---|
| SMILES | C1CN(CCN1CCCO)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056677 (CAS 41931-75-3), with molecular formula C25H27ClN2O5S and molecular weight 502.13293 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
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