rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1035 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C20 H25 F N4 O |
| Smiles: | Cn1cc(CN2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3924 |
| logD: | -2.5748 |
| logSw: | -1.6687 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.078 |
| InChI Key: | IHZLQYRSPVMQQJ-MJGOQNOKSA-N |