RefChem:1066207
(E)-but-2-enedioic acid;3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 8-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-3-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C26H30N2O4S2 |
|---|---|
| Molecular Weight | 498.1647 g/mol |
| LogP | 4.6471 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.1647 |
| Monoisotopic Mass | 498.1647 |
| Heavy Atoms | 34 |
| Complexity | 1060.2203 |
Chemical Identifiers
| CAS Number | 37577-95-0 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C3CC4=CC=CC=C4SC5=C3C=C(C=C5)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066207 (CAS 37577-95-0), with molecular formula C26H30N2O4S2 and molecular weight 498.1647 g/mol. IUPAC: (E)-but-2-enedioic acid;3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane.
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