rel-(5aR,8aR)-7-[(quinolin-8-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(quinolin-8-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(quinolin-8-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0776 |
| Compound Name: | rel-(5aR,8aR)-7-[(quinolin-8-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 295.38 |
| Molecular Formula: | C18 H21 N3 O |
| Smiles: | C1CC(N[C@H]2CN(Cc3cccc4cccnc34)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6299 |
| logD: | 1.1962 |
| logSw: | -2.1148 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.499 |
| InChI Key: | RIZNGOCNRCWJHV-HOCLYGCPSA-N |