rel-(3aR,7aS)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SB23-0757 |
| Compound Name: | rel-(3aR,7aS)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C17 H28 N6 O3 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0792 |
| logD: | -0.0796 |
| logSw: | -0.9635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.384 |
| InChI Key: | GRMFXKCHZBKJED-SUMWQHHRSA-N |