[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
Compound characteristics
| Compound ID: | S997-1235 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C16 H28 N2 O5 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0909 |
| logD: | 0.0909 |
| logSw: | -1.1668 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.781 |
| InChI Key: | UKMVNRVCIXLFFM-GDBMZVCRSA-N |