rel-(5aR,8aR)-7-cyclobutyl-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-cyclobutyl-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-cyclobutyl-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0188 |
| Compound Name: | rel-(5aR,8aR)-7-cyclobutyl-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C19 H25 F N2 O |
| Smiles: | C1CC(C1)N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3156 |
| logD: | -1.0576 |
| logSw: | -2.5304 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1526 |
| InChI Key: | VVJRLHDIJGJSJM-QAPCUYQASA-N |