rel-(3aR,7aS)-N-(3-fluoro-2-methylphenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(3aR,7aS)-N-(3-fluoro-2-methylphenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide--hydrogen chloride (1/1)
rel-(3aR,7aS)-N-(3-fluoro-2-methylphenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB23-1185 |
| Compound Name: | rel-(3aR,7aS)-N-(3-fluoro-2-methylphenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 466.94 |
| Molecular Formula: | C21 H27 F N6 O3 |
| Salt: | HCl |
| Smiles: | Cc1c(cccc1F)NC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2597 |
| logD: | 1.2593 |
| logSw: | -2.0686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.118 |
| InChI Key: | ZCBOTLUDXMERLF-QVKFZJNVSA-N |