3-phenyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}propan-1-one
Chemical Structure Depiction of
3-phenyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}propan-1-one
3-phenyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}propan-1-one
Compound characteristics
| Compound ID: | SC46-0539 |
| Compound Name: | 3-phenyl-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}propan-1-one |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)C(CCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.668 |
| logD: | 3.6648 |
| logSw: | -3.7866 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.664 |
| InChI Key: | NMEYOIQWIZCRSH-SFHVURJKSA-N |