1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(phenylmethanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(phenylmethanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(phenylmethanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1536 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(phenylmethanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(Cc1ccccc1)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1901 |
| logD: | 1.1901 |
| logSw: | -2.0924 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.185 |
| InChI Key: | XYYDMABBYZSXAY-RTBURBONSA-N |