Oprea1_581109
4-tert-butyl-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: Oprea1_581109|F0417-0951|4-tert-butyl-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide|4-(tert-butyl)-N-(5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|4-tert-butyl-N-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide|N-[5-[(2-fluorophenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide
| Molecular Formula | C21H21FN4O2S2 |
|---|---|
| Molecular Weight | 444.109 g/mol |
| LogP | 4.9578 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.109 |
| Monoisotopic Mass | 444.109 |
| Heavy Atoms | 30 |
| Complexity | 1045.6599 |
Chemical Identifiers
| CAS Number | 392298-62-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F |
Product Overview
Oprea1_581109 (CAS 392298-62-3), with molecular formula C21H21FN4O2S2 and molecular weight 444.109 g/mol. IUPAC: 4-tert-butyl-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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