rel-(3aR,7aS)-N-(2,5-difluorophenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-N-(2,5-difluorophenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-N-(2,5-difluorophenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SB23-1177 |
| Compound Name: | rel-(3aR,7aS)-N-(2,5-difluorophenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C20 H24 F2 N6 O3 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(Nc2cc(ccc2F)F)=O)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2657 |
| logD: | 1.2649 |
| logSw: | -2.1756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.118 |
| InChI Key: | VPGUUCRJSWFBJR-RNODOKPDSA-N |