5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate
Also Known As: RefChem:303602|AC1L1PL7|AC1Q622F|3-Quinuclidyl phenyl(5-isothiazinyl)glycolate|J94.698B|5-ISOTHIAZOLEGLYCOLIC ACID, alpha-PHENYL-, 3-QUINUCLIDINYL ESTER|Mandelic acid, alpha-(5-isothiazinyl)-, 3-quinuclidinyl ester|1-azabicyclo[2.2.2]oct-3-yl hydroxy(phenyl)1,2-thiazol-5-ylacetate|1-Azabicyclo[2.2.2]octan-3-yl hydroxy(phenyl)(1,2-thiazol-5-yl)acetate|alpha-Phenyl-alpha-hydroxy-5-isothiazoleacetic acid 3-quinuclidinyl ester|(1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate|1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.11948 g/mol |
| LogP | 2.02 |
| Topological Polar Surface Area | 62.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 698.3 |
Chemical Identifiers
| CAS Number | 101670-60-4 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=NS4)O |
Product Overview
5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 101670-60-4), with molecular formula C18H20N2O3S and molecular weight 344.11948 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate.
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