2-(azepan-1-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(azepan-1-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1305 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 387.54 |
| Molecular Formula: | C18 H33 N3 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4491 |
| logD: | -0.7345 |
| logSw: | -1.3658 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.488 |
| InChI Key: | WCJMSYUSLMQCPA-SJLPKXTDSA-N |