cyclohexyl[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
cyclohexyl[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
cyclohexyl[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-1178 |
| Compound Name: | cyclohexyl[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C17 H30 N2 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(C1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4367 |
| logD: | 1.4367 |
| logSw: | -1.8281 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.872 |
| InChI Key: | BJXCZOBSQBPRSR-NVXWUHKLSA-N |