C21H22FN3O4S
ethyl 2-[[2-[(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-(2-(1-(4-fluorophenyl)ethylidene)hydrazinyl)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS: 845666-13-9
| Molecular Formula | C21H22FN3O4S |
|---|---|
| Molecular Weight | 431.1315 g/mol |
| LogP | 3.4216 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1315 |
| Monoisotopic Mass | 431.1315 |
| Heavy Atoms | 30 |
| Complexity | 998.4256 |
Chemical Identifiers
| CAS Number | 845666-13-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)N/N=C(\C)/C3=CC=C(C=C3)F |
Product Overview
C21H22FN3O4S (CAS 845666-13-9), with molecular formula C21H22FN3O4S and molecular weight 431.1315 g/mol. IUPAC: ethyl 2-[[2-[(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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