RefChem:1095938
(E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-cyclohexylpiperazine maleate|Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-cyclohexyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine
CAS: 34775-51-4
| Molecular Formula | C28H33ClN2O4S |
|---|---|
| Molecular Weight | 528.18494 g/mol |
| LogP | 5.7505 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.18494 |
| Monoisotopic Mass | 528.18494 |
| Heavy Atoms | 36 |
| Complexity | 1078.7073 |
Chemical Identifiers
| CAS Number | 34775-51-4 |
|---|---|
| SMILES | C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095938 (CAS 34775-51-4), with molecular formula C28H33ClN2O4S and molecular weight 528.18494 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine.
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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