N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Compound characteristics
| Compound ID: | SB75-1032 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C16 H23 N5 O6 S2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NS(c1c(C)noc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1694 |
| logD: | 0.1666 |
| logSw: | -1.8977 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.066 |
| InChI Key: | YSGXXZVQKWBFRM-IOASZLSFSA-N |