1-[rel-(3aR,7aR)-2-(cyclopentanecarbonyl)-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-(cyclopentanecarbonyl)-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-(cyclopentanecarbonyl)-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: | SB23-0754 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-(cyclopentanecarbonyl)-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: | 411.93 |
| Molecular Formula: | C19 H29 N5 O3 |
| Salt: | HCl |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CCCC2)=O)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5082 |
| logD: | 0.5077 |
| logSw: | -1.0092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.554 |
| InChI Key: | PVWFRURVSCSHCE-DNVCBOLYSA-N |