2-methyl-1-{rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[4-(propan-2-yl)benzoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[4-(propan-2-yl)benzoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
2-methyl-1-{rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[4-(propan-2-yl)benzoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
Compound characteristics
| Compound ID: | SB23-0630 |
| Compound Name: | 2-methyl-1-{rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[4-(propan-2-yl)benzoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C24 H33 N5 O2 |
| Smiles: | CC(C)C(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0776 |
| logD: | 3.0772 |
| logSw: | -3.0762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.099 |
| InChI Key: | ICYYEPHAFFBTFJ-HYBUGGRVSA-N |