8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-[(1H-pyrrol-2-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-[(1H-pyrrol-2-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-[(1H-pyrrol-2-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC88-2198 |
| Compound Name: | 8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-[(1H-pyrrol-2-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | COc1ccc(Cc2nc(C3CCS(C34CN(Cc3ccc[nH]3)C4)(=O)=O)on2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.185 |
| logD: | 2.1849 |
| logSw: | -2.5485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.483 |
| InChI Key: | UQAFRYLTEMAQLR-SFHVURJKSA-N |