cyclopropyl[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0969 |
| Compound Name: | cyclopropyl[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C18 H23 N5 O3 S2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)S(c2cccs2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.466 |
| logD: | 1.4654 |
| logSw: | -2.4982 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.432 |
| InChI Key: | OTVHOINDOHXVGT-KBXCAEBGSA-N |