2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one--hydrogen chloride (1/1)
2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB23-1106 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 428.92 |
| Molecular Formula: | C18 H28 N6 O4 |
| Salt: | HCl |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(N2CCOCC2)=O)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8468 |
| logD: | -0.8472 |
| logSw: | -0.6744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.71 |
| InChI Key: | SKGQNBSSAVSVFV-RDTXWAMCSA-N |