AC1NEB9X
3-bromo-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-0857|3-bromo-N-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide|3-bromo-N-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|3-bromo-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide|3-bromo-N-[5-[(4-fluorophenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C17H12BrFN4O2S2 |
|---|---|
| Molecular Weight | 465.9569 g/mol |
| LogP | 4.4228 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.9569 |
| Monoisotopic Mass | 465.9569 |
| Heavy Atoms | 27 |
| Complexity | 965.5771 |
Chemical Identifiers
| CAS Number | 392297-59-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
AC1NEB9X (CAS 392297-59-5), with molecular formula C17H12BrFN4O2S2 and molecular weight 465.9569 g/mol. IUPAC: 3-bromo-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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