2-(4-ethoxyphenyl)-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
2-(4-ethoxyphenyl)-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Compound characteristics
Compound ID: | SB75-1023 |
Compound Name: | 2-(4-ethoxyphenyl)-N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide |
Molecular Weight: | 448.54 |
Molecular Formula: | C21 H28 N4 O5 S |
Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(Cc1ccc(cc1)OCC)=O |
Stereo: | RELATIVE |
logP: | 1.5681 |
logD: | 1.5681 |
logSw: | -2.5846 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.38 |
InChI Key: | DKVVKHZSQRUYBS-WWMYMODYSA-N |