rel-(3aR,7aR)-2-benzyl-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-2-benzyl-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-2-benzyl-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | SC53-0617 |
| Compound Name: | rel-(3aR,7aR)-2-benzyl-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)c1nc(C)on1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1728 |
| logD: | -0.0621 |
| logSw: | -2.4757 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.52 |
| InChI Key: | NBKMUSPTDWRRJO-UGKGYDQZSA-N |