N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-phenylethyl)urea
N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | SB75-0034 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-(2-phenylethyl)urea |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(COC)=O)c1nc(C)no1)NC(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8622 |
| logD: | 0.8622 |
| logSw: | -1.7226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.186 |
| InChI Key: | BZUIKLPVCDOCPT-HMFYCAOWSA-N |