[2-(3,4-dimethylphenyl)quinolin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
[2-(3,4-dimethylphenyl)quinolin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[2-(3,4-dimethylphenyl)quinolin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S517-1452 |
| Compound Name: | [2-(3,4-dimethylphenyl)quinolin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(c1cc(c2ccc(C)c(C)c2)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2422 |
| logD: | 5.2382 |
| logSw: | -5.3637 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.003 |
| InChI Key: | PYQZISUWNMOHFM-UHFFFAOYSA-N |