2,4-dimethyl-N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2,4-dimethyl-N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3-thiazole-5-carboxamide
2,4-dimethyl-N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | SB75-0092 |
| Compound Name: | 2,4-dimethyl-N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(C(C)C)=O)c1nc(C)no1)NC(c1c(C)nc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2913 |
| logD: | 2.2913 |
| logSw: | -2.4279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.303 |
| InChI Key: | OOIYYKAPOFUZTD-SXGZJXTBSA-N |