rel-(5aR,8aR)-7-(5-bromopyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-bromopyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-bromopyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0022 |
| Compound Name: | rel-(5aR,8aR)-7-(5-bromopyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 338.2 |
| Molecular Formula: | C14 H16 Br N3 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(c1cc(cnc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6974 |
| logD: | 0.6974 |
| logSw: | -1.4533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.489 |
| InChI Key: | DGRKDVQASLIOTF-JOYOIKCWSA-N |