1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methyl-1H-pyrazol-1-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-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S997-1311 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | Cc1ccn(CC(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.762 |
| logD: | -0.762 |
| logSw: | -1.7551 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.619 |
| InChI Key: | ZJLIYPSLPWVUNU-GDBMZVCRSA-N |