3,4-difluoro-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]benzamide
Chemical Structure Depiction of
3,4-difluoro-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]benzamide
3,4-difluoro-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]benzamide
Compound characteristics
| Compound ID: | SB75-0990 |
| Compound Name: | 3,4-difluoro-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]benzamide |
| Molecular Weight: | 426.44 |
| Molecular Formula: | C18 H20 F2 N4 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(c1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7313 |
| logD: | 1.7313 |
| logSw: | -2.7167 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.469 |
| InChI Key: | DSIGHOAIURPOPB-VBHSOAQHSA-N |