N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
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]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Compound characteristics
| Compound ID: | SB75-1011 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C16 H22 N6 O5 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(C1CCC(NN=1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7262 |
| logD: | -0.8271 |
| logSw: | -1.5516 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.878 |
| InChI Key: | SOJHCMNQMOMOOE-GDLVEWKHSA-N |