AC1O5GLE
(Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol
Also Known As: 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate|Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, maleate (1:1)|10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-10-ol maleate|(Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol|DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-11-(4-METHYL-1-PIPERAZINYL)-, MALEATE (
| Molecular Formula | C23H26N2O5S |
|---|---|
| Molecular Weight | 442.15625 g/mol |
| LogP | 2.4982 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.15625 |
| Monoisotopic Mass | 442.15625 |
| Heavy Atoms | 31 |
| Complexity | 955.9441 |
Chemical Identifiers
| CAS Number | 16946-50-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2(CC3=CC=CC=C3SC4=CC=CC=C42)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
AC1O5GLE (CAS 16946-50-2), with molecular formula C23H26N2O5S and molecular weight 442.15625 g/mol. IUPAC: (Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol.
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