RefChem:1056545
(E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: 4-(10,11-Dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate|1-Piperazineethanol, 4-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate|(E)-but-2-enedioic acid; 2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
CAS: 73129-41-6
| Molecular Formula | C24H27FN2O5S |
|---|---|
| Molecular Weight | 474.16248 g/mol |
| LogP | 2.8958 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.16248 |
| Monoisotopic Mass | 474.16248 |
| Heavy Atoms | 33 |
| Complexity | 992.0991 |
Chemical Identifiers
| CAS Number | 73129-41-6 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=C2C=CC=C4F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056545 (CAS 73129-41-6), with molecular formula C24H27FN2O5S and molecular weight 474.16248 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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