cyclopropyl[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-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-(3,5-dimethyl-1,2-oxazole-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-(3,5-dimethyl-1,2-oxazole-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: | SB23-0920 |
| Compound Name: | cyclopropyl[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C19 H26 N6 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CC[C@]2(CN(C[C@H]2C1)C(C1CC1)=O)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5686 |
| logD: | 0.568 |
| logSw: | -1.8926 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.451 |
| InChI Key: | IEJWNAJNGXUEPG-HNAYVOBHSA-N |