RefChem:1095920
bis((E)-but-2-enedioic acid);1-(3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(8-Chloro-10,11-dihydro-7-methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimaleate|Piperazine, 1-(8-chloro-10,11-dihydro-7-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 1-(3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
| Molecular Formula | C28H31ClN2O9S |
|---|---|
| Molecular Weight | 606.14386 g/mol |
| LogP | 3.768 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 606.14386 |
| Monoisotopic Mass | 606.14386 |
| Heavy Atoms | 41 |
| Complexity | 1241.463 |
Chemical Identifiers
| CAS Number | 64359-47-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC(=C(C=C3SC4=CC=CC=C4C2)OC)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095920 (CAS 64359-47-3), with molecular formula C28H31ClN2O9S and molecular weight 606.14386 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
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