RefChem:1095708
(E)-but-2-enedioic acid;1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine
Also Known As: 1-(10,11-Dihydro-2-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(10,11-dihydro-2-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine
| Molecular Formula | C24H25F3N2O4S |
|---|---|
| Molecular Weight | 494.1487 g/mol |
| LogP | 4.413 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.1487 |
| Monoisotopic Mass | 494.1487 |
| Heavy Atoms | 34 |
| Complexity | 1050.4238 |
Chemical Identifiers
| CAS Number | 57564-33-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)C(F)(F)F)SC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095708 (CAS 57564-33-7), with molecular formula C24H25F3N2O4S and molecular weight 494.1487 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine.
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