1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(pyridin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(pyridin-4-yl)ethan-1-one
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(pyridin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC55-0497 |
| Compound Name: | 1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(pyridin-4-yl)ethan-1-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C25 H30 N6 O |
| Smiles: | CC(C)c1nc(C2CN(Cc3ccccc3)CC23CN(C3)C(Cc2ccncc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2918 |
| logD: | -2.0092 |
| logSw: | -2.4173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.464 |
| InChI Key: | HDOMURRNVWVOTR-OAQYLSRUSA-N |