1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)propan-1-one
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S997-1260 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C20 H30 N2 O5 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(CCc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4393 |
| logD: | 1.4393 |
| logSw: | -2.185 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.783 |
| InChI Key: | NORMWLPSZAMPPB-YLJYHZDGSA-N |