2-methyl-1-[rel-(3aR,7aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,7aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
2-methyl-1-[rel-(3aR,7aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Compound characteristics
| Compound ID: | SB23-0631 |
| Compound Name: | 2-methyl-1-[rel-(3aR,7aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C19 H28 N6 O S |
| Smiles: | CC(C)C(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)Cc1c(C)ncs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.66 |
| logD: | 0.2755 |
| logSw: | -2.3246 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.388 |
| InChI Key: | WIRHLWRNNVIGRR-DNVCBOLYSA-N |