2-ethyl-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
2-ethyl-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
Compound characteristics
| Compound ID: | SC70-0023 |
| Compound Name: | 2-ethyl-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | CCC(CC)C(N1CC(c2nc(c3ccncc3)[nH]n2)C2(CCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7596 |
| logD: | 2.7477 |
| logSw: | -2.7237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.584 |
| InChI Key: | BWHASJALOZNRBR-INIZCTEOSA-N |