(2,4-dimethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,4-dimethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-0737 |
| Compound Name: | (2,4-dimethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C19 H28 N2 O6 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9142 |
| logD: | 0.9142 |
| logSw: | -2.4316 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.854 |
| InChI Key: | JXTFNXWDBJUZLX-AUUYWEPGSA-N |