3-(benzenesulfonyl)-1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}propan-1-one
3-(benzenesulfonyl)-1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | SB54-0366 |
| Compound Name: | 3-(benzenesulfonyl)-1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}propan-1-one |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | CC(C)c1nnc([C@@H]2CN(C[C@H]2COC)C(CCS(c2ccccc2)(=O)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4659 |
| logD: | 1.4659 |
| logSw: | -2.4572 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.568 |
| InChI Key: | IJEDKWHOKYNFBM-DOTOQJQBSA-N |