8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-(4-methylpentanoyl)-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-(4-methylpentanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-(4-methylpentanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC88-1997 |
| Compound Name: | 8-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-(4-methylpentanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CC(C)CCC(N1CC2(C1)C(CCS2(=O)=O)c1nc(Cc2ccc(cc2)OC)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9572 |
| logD: | 2.9572 |
| logSw: | -3.3861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.581 |
| InChI Key: | VURNQGZVVHEZGL-SFHVURJKSA-N |