cyclopropyl[rel-(3aR,7aR)-5-(1-methyl-1H-imidazole-4-sulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aR)-5-(1-methyl-1H-imidazole-4-sulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aR)-5-(1-methyl-1H-imidazole-4-sulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0966 |
| Compound Name: | cyclopropyl[rel-(3aR,7aR)-5-(1-methyl-1H-imidazole-4-sulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C18 H25 N7 O3 S |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)S(c2cn(C)cn2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0246 |
| logD: | -0.0253 |
| logSw: | -2.1013 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.825 |
| InChI Key: | IBAVIGQPVWOPNE-KBXCAEBGSA-N |