rel-(3aR,7aS)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SC54-0471 |
| Compound Name: | rel-(3aR,7aS)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C20 H28 N6 O3 S |
| Smiles: | CCCNC(N1C[C@@H]2CN(CC[C@@]2(C1)c1nnc(C)o1)C(c1c(C)nc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6714 |
| logD: | 1.6713 |
| logSw: | -2.1875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.818 |
| InChI Key: | PWVZDSCLSRLLTB-FOIQADDNSA-N |