RefChem:1095951
(E)-but-2-enedioic acid;1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(8-Cyclopropyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(8-cyclopropyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine|Piperazine, 1-(8-cyclopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C26H30N2O4S |
|---|---|
| Molecular Weight | 466.19263 g/mol |
| LogP | 4.2716 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.19263 |
| Monoisotopic Mass | 466.19263 |
| Heavy Atoms | 33 |
| Complexity | 1026.3374 |
Chemical Identifiers
| CAS Number | 54997-72-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C5CC5.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095951 (CAS 54997-72-7), with molecular formula C26H30N2O4S and molecular weight 466.19263 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
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