N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-methylpropyl)urea
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]-N'-(2-methylpropyl)urea
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-methylpropyl)urea
Compound characteristics
| Compound ID: | SB75-0220 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-methylpropyl)urea |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C16 H27 N5 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(NCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9424 |
| logD: | 0.9424 |
| logSw: | -1.9644 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.275 |
| InChI Key: | BVWOSJBTTYBQOQ-WWGRRREGSA-N |