RefChem:1056649
(E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide
Also Known As: 8-Chloro-10-(4-(3-amino-3-oximinopropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate|1-Piperazinepropanimidamide, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide|1-Piperazinepropanimidamide, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C25H29ClN4O5S |
|---|---|
| Molecular Weight | 532.1547 g/mol |
| LogP | 3.06227 |
| Topological Polar Surface Area | 151.18 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1547 |
| Monoisotopic Mass | 532.1547 |
| Heavy Atoms | 36 |
| Complexity | 1129.1827 |
Chemical Identifiers
| CAS Number | 34770-89-3 |
|---|---|
| SMILES | C1CN(C(CN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O)CCC(=N)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056649 (CAS 34770-89-3), with molecular formula C25H29ClN4O5S and molecular weight 532.1547 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide.
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