3-methyl-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
3-methyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}butan-1-one
3-methyl-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: | SC46-0790 |
| Compound Name: | 3-methyl-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: | 318.46 |
| Molecular Formula: | C18 H30 N4 O |
| Smiles: | CC(C)CC(N1CC(c2nc(C(C)C)n[nH]2)C2(CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.041 |
| logD: | 3.0378 |
| logSw: | -3.1813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.935 |
| InChI Key: | VZYIMMXBPPLOPB-AWEZNQCLSA-N |