rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0914 |
| Compound Name: | rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 262.35 |
| Molecular Formula: | C14 H22 N4 O |
| Smiles: | Cc1c(CN2C[C@H]3CCCC(N[C@H]3C2)=O)cnn1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1863 |
| logD: | -5.0302 |
| logSw: | -0.6569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.452 |
| InChI Key: | NOESIMUNOKWDOG-AAEUAGOBSA-N |