rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0029 |
| Compound Name: | rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 276.34 |
| Molecular Formula: | C14 H20 N4 O2 |
| Smiles: | CCn1c(ccn1)C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2938 |
| logD: | -0.2938 |
| logSw: | -1.7099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.97 |
| InChI Key: | SBVDYNLARPPTFD-QWRGUYRKSA-N |