AC1MLIRO
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: Oprea1_223819|BAS 06400651|F0417-0925|(3r,5r,7r)-N-(5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide|N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide|N-[5-({[(2-FLUOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]ADAMANTANE-1-CARBOXAMIDE
| Molecular Formula | C21H23FN4O2S2 |
|---|---|
| Molecular Weight | 446.12463 g/mol |
| LogP | 4.5629 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.12463 |
| Monoisotopic Mass | 446.12463 |
| Heavy Atoms | 30 |
| Complexity | 944.13666 |
Chemical Identifiers
| CAS Number | 392298-07-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NC5=CC=CC=C5F |
Product Overview
AC1MLIRO (CAS 392298-07-6), with molecular formula C21H23FN4O2S2 and molecular weight 446.12463 g/mol. IUPAC: N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
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