RefChem:1095732
(E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Also Known As: 1-(10,11-Dihydro-8-(methylthio)dibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenz(b,f)oxepin-10-yl)-4-methyl-, maleate (1:1)|(E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine|Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenz[b,f]oxepin-10-yl]-4-methyl-, (Z)-2-butenedioate (1:1)|Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenz[b,f]oxepin-10-yl]-4-methyl-, maleate (1:1)
| Molecular Formula | C24H28N2O5S |
|---|---|
| Molecular Weight | 456.1719 g/mol |
| LogP | 3.7572 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1719 |
| Monoisotopic Mass | 456.1719 |
| Heavy Atoms | 32 |
| Complexity | 970.1049 |
Chemical Identifiers
| CAS Number | 25558-85-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095732 (CAS 25558-85-4), with molecular formula C24H28N2O5S and molecular weight 456.1719 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine.
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