[rel-(3aR,7aR)-5-(benzenesulfonyl)-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,7aR)-5-(benzenesulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
[rel-(3aR,7aR)-5-(benzenesulfonyl)-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: | SB23-0904 |
| Compound Name: | [rel-(3aR,7aR)-5-(benzenesulfonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)S(c2ccccc2)(=O)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 1.6746 |
| logD: | 1.6739 |
| logSw: | -2.5226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.413 |
| InChI Key: | GHEIQXDYPQYVOH-OXJNMPFZSA-N |