RefChem:1056560
(Z)-but-2-enedioic acid;2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: VUFB10.869|4-(2-Chlorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate|1-Piperazineethanol, 4-(2-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)|2-Chloro-10-(4-(2-hydroxyethyl)piperazino)dibenzo(b,f)thiepin maleate|(Z)-but-2-enedioic acid; 2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
| Molecular Formula | C24H25ClN2O5S |
|---|---|
| Molecular Weight | 488.11728 g/mol |
| LogP | 3.6244 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11728 |
| Monoisotopic Mass | 488.11728 |
| Heavy Atoms | 33 |
| Complexity | 1048.5702 |
Chemical Identifiers
| CAS Number | 30196-10-2 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056560 (CAS 30196-10-2), with molecular formula C24H25ClN2O5S and molecular weight 488.11728 g/mol. IUPAC: (Z)-but-2-enedioic acid;2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
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