rel-(3aR,5R,6aR)-5-[(ethanesulfonyl)amino]-N-(4-methoxyphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,6aR)-5-[(ethanesulfonyl)amino]-N-(4-methoxyphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide
rel-(3aR,5R,6aR)-5-[(ethanesulfonyl)amino]-N-(4-methoxyphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB75-1292 |
| Compound Name: | rel-(3aR,5R,6aR)-5-[(ethanesulfonyl)amino]-N-(4-methoxyphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C20 H27 N5 O5 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(Nc1ccc(cc1)OC)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0451 |
| logD: | 2.0451 |
| logSw: | -2.8508 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.465 |
| InChI Key: | FXXPYYONZVXQFV-KKVAFCGZSA-N |