2-(4-methylphenoxy)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenoxy)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(4-methylphenoxy)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0435 |
| Compound Name: | 2-(4-methylphenoxy)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCC(CC1)Cc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5801 |
| logD: | 3.5443 |
| logSw: | -3.5462 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.362 |
| InChI Key: | ZSZRZFLLQQEQGX-UHFFFAOYSA-N |