2-(dimethylamino)-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}ethan-1-one
Chemical Structure Depiction of
2-(dimethylamino)-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}ethan-1-one
2-(dimethylamino)-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | SC46-0501 |
| Compound Name: | 2-(dimethylamino)-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}ethan-1-one |
| Molecular Weight: | 319.45 |
| Molecular Formula: | C17 H29 N5 O |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)C(CN(C)C)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1312 |
| logD: | -1.1491 |
| logSw: | -1.6736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.822 |
| InChI Key: | PAVPIGOWJPIISS-ZDUSSCGKSA-N |