2-(2-methylphenyl)-1-[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-methylphenyl)-1-[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethan-1-one
2-(2-methylphenyl)-1-[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC70-0449 |
| Compound Name: | 2-(2-methylphenyl)-1-[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethan-1-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | CCCc1nc(C2CN(CC23CCC3)C(Cc2ccccc2C)=O)n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0506 |
| logD: | 4.048 |
| logSw: | -3.8472 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.619 |
| InChI Key: | YNIYCNOFWUFOAX-KRWDZBQOSA-N |