rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0802 |
| Compound Name: | rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C16 H28 N4 O3 S |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.144 |
| logD: | -4.8194 |
| logSw: | -1.039 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.926 |
| InChI Key: | NFDLQVDEKKBUEC-HZPDHXFCSA-N |