rel-(3aR,7aS)-5-(methoxyacetyl)-N-(3-methoxyphenyl)-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)-5-(methoxyacetyl)-N-(3-methoxyphenyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(methoxyacetyl)-N-(3-methoxyphenyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SB23-1175 |
| Compound Name: | rel-(3aR,7aS)-5-(methoxyacetyl)-N-(3-methoxyphenyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(Nc2cccc(c2)OC)=O)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7688 |
| logD: | 0.7684 |
| logSw: | -2.1142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.36 |
| InChI Key: | YVZXKQVOOICOPN-YCRPNKLZSA-N |