[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S997-0669 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C15 H23 N3 O4 S |
| Smiles: | Cn1cccc1C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3493 |
| logD: | 0.3493 |
| logSw: | -1.8609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.788 |
| InChI Key: | LLIDYSNDGDDISY-IUODEOHRSA-N |