(2-bromo-5-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2-bromo-5-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2-bromo-5-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-5897 |
| Compound Name: | (2-bromo-5-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C17 H23 Br N2 O5 S |
| Smiles: | COc1ccc(c(c1)C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1168 |
| logD: | 1.1168 |
| logSw: | -2.4635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.915 |
| InChI Key: | OEZOSNZOHUYIPV-SJKOYZFVSA-N |