2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-1167 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC(C)Oc1ccccc1CN1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7781 |
| logD: | -3.2172 |
| logSw: | -2.1285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.969 |
| InChI Key: | LAJDJJHOACQCGO-WMZHIEFXSA-N |