rel-(5aR,8aR)-1-benzyl-7-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1163 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | Cc1c(CN2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5842 |
| logD: | -2.1671 |
| logSw: | -1.6107 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.431 |
| InChI Key: | BQPHNYLETKQGOO-QUCCMNQESA-N |