rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0036 |
| Compound Name: | rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 276.38 |
| Molecular Formula: | C15 H24 N4 O |
| Smiles: | CC(C)n1cc(CN2C[C@H]3CCCC(N[C@H]3C2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4177 |
| logD: | -6.0758 |
| logSw: | -1.1121 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.927 |
| InChI Key: | NVHVJIRQKLXGDX-KBPBESRZSA-N |