[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-3-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S997-1306 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C15 H24 N4 O4 S |
| Smiles: | Cn1ccc(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6588 |
| logD: | -0.6588 |
| logSw: | -1.7967 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.372 |
| InChI Key: | AUMITLTULPIUNH-IUODEOHRSA-N |