1-[rel-(3aR,7aS)-5-[(4-ethylphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(4-ethylphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
1-[rel-(3aR,7aS)-5-[(4-ethylphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB23-1298 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(4-ethylphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one |
| Molecular Weight: | 395.55 |
| Molecular Formula: | C23 H33 N5 O |
| Smiles: | CCc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)C(C(C)C)=O)c2nc(C)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2828 |
| logD: | 1.3664 |
| logSw: | -3.1994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.183 |
| InChI Key: | GUDRCKFDOVBOAE-NZQKXSOJSA-N |