2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-1183 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(morpholine-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C17 H28 N6 O5 S |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)S(N2CCOCC2)(=O)=O)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.4249 |
| logD: | -1.4253 |
| logSw: | -1.5561 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.372 |
| InChI Key: | NZCLCLRVRIBCIO-WMLDXEAASA-N |