[rel-(3aR,7aS)-5-(cyclobutanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-(cyclobutanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
[rel-(3aR,7aS)-5-(cyclobutanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
Compound characteristics
| Compound ID: | SB23-0927 |
| Compound Name: | [rel-(3aR,7aS)-5-(cyclobutanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C19 H27 N5 O2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)C(C2CCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8242 |
| logD: | 0.8238 |
| logSw: | -1.1892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.874 |
| InChI Key: | JFSUMIPVDZXSPT-DNVCBOLYSA-N |