AC1LDE3K
tert-butyl (2S)-2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: (S)-tert-butyl 2-(5-((2-((2,3-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate|tert-butyl (2S)-2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CAS: 1164528-40-8
| Molecular Formula | C21H28N4O4S |
|---|---|
| Molecular Weight | 432.18314 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.18314 |
| Monoisotopic Mass | 432.18314 |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 1164528-40-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)[C@@H]3CCCN3C(=O)OC(C)(C)C)C |
| InChIKey | RACCIIXNWLJABQ-INIZCTEOSA-N |
Product Overview
AC1LDE3K (CAS 1164528-40-8), with molecular formula C21H28N4O4S and molecular weight 432.18314 g/mol. IUPAC: tert-butyl (2S)-2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-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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