1-[rel-(3aR,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxyethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxyethan-1-one--hydrogen chloride (1/1)
1-[rel-(3aR,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxyethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB23-1176 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxyethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C20 H28 N6 O4 |
| Salt: | HCl |
| Smiles: | Cc1c(CC(N2C[C@H]3CN(CC[C@]3(C2)c2nc(C)n[nH]2)C(COC)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.276 |
| logD: | -0.2764 |
| logSw: | -0.7532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.506 |
| InChI Key: | FNFLMKQJMKLGMQ-FOIQADDNSA-N |