2-ethyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}butan-1-one
2-ethyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}butan-1-one
Compound characteristics
| Compound ID: | SC46-0789 |
| Compound Name: | 2-ethyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}butan-1-one |
| Molecular Weight: | 332.49 |
| Molecular Formula: | C19 H32 N4 O |
| Smiles: | CCC(CC)C(N1CC(c2nc(C(C)C)n[nH]2)C2(CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5817 |
| logD: | 3.5784 |
| logSw: | -3.6137 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.463 |
| InChI Key: | LTWSNPVGTQGFIB-HNNXBMFYSA-N |