[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-2-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-2-yl)methanone
Compound characteristics
| Compound ID: | S997-0765 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-2-yl)methanone |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C15 H22 N4 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.1924 |
| logD: | -1.1924 |
| logSw: | -1.2606 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.116 |
| InChI Key: | JKSFYTNJSZCOBV-IUODEOHRSA-N |