[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](thiophen-2-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S997-0727 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C15 H22 N2 O4 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9683 |
| logD: | 0.9683 |
| logSw: | -2.073 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.699 |
| InChI Key: | HCGMEMHFTSGSPG-IUODEOHRSA-N |