[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methoxy-2-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methoxy-2-methylphenyl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methoxy-2-methylphenyl)methanone
Compound characteristics
| Compound ID: | S858-1889 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methoxy-2-methylphenyl)methanone |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C18 H26 N2 O5 S |
| Smiles: | Cc1c(cccc1OC)C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8688 |
| logD: | 0.8688 |
| logSw: | -2.288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.002 |
| InChI Key: | GJDWKKGBGFRGGI-RDTXWAMCSA-N |