rel-(3aR,7aS)-N-(2-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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: | SB23-1173 |
| Compound Name: | rel-(3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 446.94 |
| Molecular Formula: | C21 H27 Cl N6 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8223 |
| logD: | 1.8219 |
| logSw: | -2.7015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.118 |
| InChI Key: | OBKQEWDHZWMBIQ-YCRPNKLZSA-N |