RefChem:1052355
bis((E)-but-2-enedioic acid);N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
Also Known As: C16H17ClN2S.2C4H4O4.1/2H2O|C16-H17-Cl-N2-S.2C4-H4-O4.1/2H2-O|N-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,2-ethanediamine dimaleate hemihydrate|1,2-Ethanediamine, N-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)|10-(2-Aminoethylamino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate) 1/2H2O|(E)-but-2-enedioic acid; N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
| Molecular Formula | C24H25ClN2O8S |
|---|---|
| Molecular Weight | 536.102 g/mol |
| LogP | 3.0603 |
| Topological Polar Surface Area | 187.25 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.102 |
| Monoisotopic Mass | 536.102 |
| Heavy Atoms | 36 |
| Complexity | 1070.8496 |
Chemical Identifiers
| CAS Number | 69231-65-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC3=C(C1NCCN)C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052355 (CAS 69231-65-8), with molecular formula C24H25ClN2O8S and molecular weight 536.102 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine.
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