(5-bromopyridin-3-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(5-bromopyridin-3-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(5-bromopyridin-3-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-0774 |
| Compound Name: | (5-bromopyridin-3-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 432.33 |
| Molecular Formula: | C16 H22 Br N3 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1cc(cnc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7617 |
| logD: | 0.7617 |
| logSw: | -1.6692 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.288 |
| InChI Key: | DFUWXPOBHAKPLW-XJKSGUPXSA-N |