[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylfuran-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylfuran-2-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylfuran-2-yl)methanone
Compound characteristics
| Compound ID: | S858-2030 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylfuran-2-yl)methanone |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C15 H22 N2 O5 S |
| Smiles: | Cc1ccoc1C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.3366 |
| logD: | 0.3366 |
| logSw: | -1.8789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.183 |
| InChI Key: | AYRCMMLQUGBQJO-IUODEOHRSA-N |