2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Compound characteristics
| Compound ID: | SB75-0025 |
| Compound Name: | 2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C21 H33 N5 O4 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(COC)=O)c1nc(C)no1)NC(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9532 |
| logD: | -0.4351 |
| logSw: | -1.358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.933 |
| InChI Key: | SHSHJMJJQHRWJY-WWMYMODYSA-N |