RefChem:1056654
(E)-but-2-enedioic acid;methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
Also Known As: 1-Piperazinepropanoic acid, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, methyl ester, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
CAS: 34775-60-5
| Molecular Formula | C26H29ClN2O6S |
|---|---|
| Molecular Weight | 532.1435 g/mol |
| LogP | 3.9809 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1435 |
| Monoisotopic Mass | 532.1435 |
| Heavy Atoms | 36 |
| Complexity | 1101.3633 |
Chemical Identifiers
| CAS Number | 34775-60-5 |
|---|---|
| SMILES | COC(=O)CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056654 (CAS 34775-60-5), with molecular formula C26H29ClN2O6S and molecular weight 532.1435 g/mol. IUPAC: (E)-but-2-enedioic acid;methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate.
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.
View MSDS →
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