2-(2-chlorophenyl)-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-(2-chlorophenyl)-1-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}ethan-1-one
2-(2-chlorophenyl)-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: | SC46-0498 |
| Compound Name: | 2-(2-chlorophenyl)-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: | 386.92 |
| Molecular Formula: | C21 H27 Cl N4 O |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)C(Cc2ccccc2[Cl])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0726 |
| logD: | 4.0694 |
| logSw: | -4.1853 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.664 |
| InChI Key: | NEHQLWOIWZAAKT-INIZCTEOSA-N |