1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S997-0731 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 372.5 |
| Molecular Formula: | C16 H24 N2 O4 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6938 |
| logD: | 0.6938 |
| logSw: | -2.0199 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.171 |
| InChI Key: | YYPUVIZLHQRPGV-CZUORRHYSA-N |