rel-(3aR,7aR)-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0515 |
| Compound Name: | rel-(3aR,7aR)-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 324.17 |
| Molecular Formula: | C13 H14 Br N3 O2 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(c1cc(cnc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2494 |
| logD: | 0.2494 |
| logSw: | -1.4099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.602 |
| InChI Key: | WBIWDIUUAGBCPP-ZJUUUORDSA-N |