(2-ethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2-ethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2-ethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-0718 |
| Compound Name: | (2-ethoxyphenyl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C19 H28 N2 O5 S |
| Smiles: | CCOc1ccccc1C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1685 |
| logD: | 1.1685 |
| logSw: | -2.3667 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.89 |
| InChI Key: | NZKKZAJKWPMLML-DNVCBOLYSA-N |