rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0803 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C17 H30 N4 O3 S |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0299 |
| logD: | -4.4894 |
| logSw: | -1.0809 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.604 |
| InChI Key: | YJKTUOHFFAQNCK-NVXWUHKLSA-N |