(3-methylphenyl){8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}methanone
Chemical Structure Depiction of
(3-methylphenyl){8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}methanone
(3-methylphenyl){8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}methanone
Compound characteristics
| Compound ID: | SC70-0021 |
| Compound Name: | (3-methylphenyl){8-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}methanone |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | Cc1cccc(c1)C(N1CC(c2nc(c3ccncc3)[nH]n2)C2(CCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5135 |
| logD: | 2.5017 |
| logSw: | -2.5655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.313 |
| InChI Key: | MKLLNOIPLXSOLW-SFHVURJKSA-N |