rel-(3aR,7aR)-5-benzyl-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0386 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(5-bromopyridine-3-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 414.3 |
| Molecular Formula: | C20 H20 Br N3 O2 |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)C(c1cc(cnc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2129 |
| logD: | 2.2129 |
| logSw: | -2.5751 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.285 |
| InChI Key: | KQJZZFYVSQWJOE-SJORKVTESA-N |