cyclopropyl[rel-(3aR,7aS)-5-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | S858-1289 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C18 H28 N4 O2 |
| Smiles: | Cc1ncc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C2CC2)=O)n1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0898 |
| logD: | -2.5718 |
| logSw: | -0.7066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.706 |
| InChI Key: | AHXFJAYKPSSYPH-CRAIPNDOSA-N |