4-phenyl-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
4-phenyl-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
4-phenyl-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: | SC70-0046 |
| Compound Name: | 4-phenyl-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: | 401.51 |
| Molecular Formula: | C24 H27 N5 O |
| Smiles: | C(CC(N1CC(c2nc(c3ccncc3)[nH]n2)C2(CCC2)C1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.427 |
| logD: | 3.4151 |
| logSw: | -3.4749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.785 |
| InChI Key: | NWGFAKOSWOJITL-FQEVSTJZSA-N |