1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB23-0910 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | Cc1c(CC(N2CC[C@]3(CN(C[C@H]3C2)C(C2CC2)=O)c2nc(C)n[nH]2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9481 |
| logD: | 0.9477 |
| logSw: | -1.4793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.861 |
| InChI Key: | WFTRIXCATAXCKF-HRAATJIYSA-N |