1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methylphenyl)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-(3-methylphenyl)ethan-1-one
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S997-1303 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | Cc1cccc(CC(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8347 |
| logD: | 1.8347 |
| logSw: | -2.3825 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.153 |
| InChI Key: | SAOVKACJXFWQDT-IEBWSBKVSA-N |