AC1O5HUB
bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine
Also Known As: 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate|(1)Benzothiepino(2,3-b)pyridine, 6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)|6-(4-Methyl-1-piperazinyl)(1)benzothiepino(2,3-b)pyridine dimaleate|(1)BENZOTHIEPINO(2,3-b)PYRIDINE, 6-(4-METHYL-1-PIPERAZINYL)-, (Z)-2-BUTENEDIOATE|(Z)-but-2-enedioic acid; 6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine
| Molecular Formula | C26H27N3O8S |
|---|---|
| Molecular Weight | 541.1519 g/mol |
| LogP | 2.7153 |
| Topological Polar Surface Area | 168.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1519 |
| Monoisotopic Mass | 541.1519 |
| Heavy Atoms | 38 |
| Complexity | 1184.5593 |
Chemical Identifiers
| CAS Number | 43040-50-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(SC4=CC=CC=C24)N=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
AC1O5HUB (CAS 43040-50-2), with molecular formula C26H27N3O8S and molecular weight 541.1519 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine.
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