2-(3-methoxyphenyl)-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
2-(3-methoxyphenyl)-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
Compound characteristics
| Compound ID: | SC70-0017 |
| Compound Name: | 2-(3-methoxyphenyl)-1-{8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | COc1cccc(CC(N2CC(c3nc(c4ccncc4)[nH]n3)C3(CCC3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6381 |
| logD: | 2.6263 |
| logSw: | -2.8128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.329 |
| InChI Key: | IUQMIPXLFWEYHA-IBGZPJMESA-N |