rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(pyridin-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(pyridin-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(pyridin-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0198 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(pyridin-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C21 H24 F N3 O |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(Cc3cccnc3)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9817 |
| logD: | 1.8849 |
| logSw: | -1.7831 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7865 |
| InChI Key: | BUVVODVBNQPKIA-QUCCMNQESA-N |