1-[rel-(3aR,7aR)-5-(5-bromofuran-2-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(5-bromofuran-2-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(5-bromofuran-2-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1649 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(5-bromofuran-2-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 385.26 |
| Molecular Formula: | C16 H21 Br N2 O4 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1ccc(o1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2413 |
| logD: | 1.2413 |
| logSw: | -1.863 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.519 |
| InChI Key: | XGJSRLCVGMRKRA-BLLLJJGKSA-N |