(2,5-difluorophenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,5-difluorophenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,5-difluorophenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-1212 |
| Compound Name: | (2,5-difluorophenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C17 H22 F2 N2 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1cc(ccc1F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3066 |
| logD: | 1.3066 |
| logSw: | -2.4209 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.68 |
| InChI Key: | ABRAMNKWJSCQFE-SJKOYZFVSA-N |