rel-(5aR,8aR)-7-[(3-fluoropyridin-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3-fluoropyridin-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3-fluoropyridin-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0836 |
| Compound Name: | rel-(5aR,8aR)-7-[(3-fluoropyridin-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 263.31 |
| Molecular Formula: | C14 H18 F N3 O |
| Smiles: | C1CC(N[C@H]2CN(Cc3ccncc3F)C[C@H]2C1)=O |
| Stereo: | RELATIVE |
| logP: | 0.5643 |
| logD: | 0.3937 |
| logSw: | -1.346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.483 |
| InChI Key: | NFTBUDQMYVQFHD-WCQYABFASA-N |