N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylphenoxy)acetamide
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]-2-(3-methylphenoxy)acetamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylphenoxy)acetamide
Compound characteristics
Compound ID: | SB75-0189 |
Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylphenoxy)acetamide |
Molecular Weight: | 434.51 |
Molecular Formula: | C20 H26 N4 O5 S |
Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(COc1cccc(C)c1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.7325 |
logD: | 1.7325 |
logSw: | -2.6852 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.755 |
InChI Key: | WHQLIOHLFQPPRG-GUXCAODWSA-N |