rel-(5aR,8aR)-7-(1-ethylpiperidin-4-yl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1-ethylpiperidin-4-yl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1-ethylpiperidin-4-yl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0149 |
| Compound Name: | rel-(5aR,8aR)-7-(1-ethylpiperidin-4-yl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 373.51 |
| Molecular Formula: | C22 H32 F N3 O |
| Smiles: | CCN1CCC(CC1)N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O |
| Stereo: | RELATIVE |
| logP: | 2.597 |
| logD: | 0.8317 |
| logSw: | -2.4749 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.3584 |
| InChI Key: | UTSCNFNRJZNWTC-NQIIRXRSSA-N |