rel-(5aR,8aR)-7-(quinoline-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(quinoline-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(quinoline-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0094 |
| Compound Name: | rel-(5aR,8aR)-7-(quinoline-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C18 H19 N3 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(c1ccc2ccccc2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4863 |
| logD: | 1.4863 |
| logSw: | -2.387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.212 |
| InChI Key: | OTBQSYRKVLOKJO-BBRMVZONSA-N |