AC1N9A4B
3,4,5-trimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-0806|3,4,5-trimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|3,4,5-trimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide|3,4,5-trimethoxy-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
| Molecular Formula | C21H19F3N4O5S2 |
|---|---|
| Molecular Weight | 528.0749 g/mol |
| LogP | 4.5658 |
| Topological Polar Surface Area | 111.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.0749 |
| Monoisotopic Mass | 528.0749 |
| Heavy Atoms | 35 |
| Complexity | 1194.661 |
Chemical Identifiers
| CAS Number | 392297-23-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
AC1N9A4B (CAS 392297-23-3), with molecular formula C21H19F3N4O5S2 and molecular weight 528.0749 g/mol. IUPAC: 3,4,5-trimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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