RefChem:1057317
(E)-but-2-enedioic acid;2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Also Known As: 6,8-Difluoro-2-ethyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine maleate|10H-Thieno(2,3-b)(1,5)benzodiazepine, 6,8-difluoro-2-ethyl-4-(4-methyl-1-piperazinyl)-, maleate|(E)-but-2-enedioic acid; 2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
| Molecular Formula | C22H24F2N4O4S |
|---|---|
| Molecular Weight | 478.14862 g/mol |
| LogP | 3.6832 |
| Topological Polar Surface Area | 105.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.14862 |
| Monoisotopic Mass | 478.14862 |
| Heavy Atoms | 33 |
| Complexity | 1092.0557 |
Chemical Identifiers
| CAS Number | 61325-74-4 |
|---|---|
| SMILES | CCC1=CC2=C(S1)NC3=C(C(=CC(=C3)F)F)N=C2N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057317 (CAS 61325-74-4), with molecular formula C22H24F2N4O4S and molecular weight 478.14862 g/mol. IUPAC: (E)-but-2-enedioic acid;2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.
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