4-phenyl-5-[1-(3-phenylprop-2-enoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-phenyl-5-[1-(3-phenylprop-2-enoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-phenyl-5-[1-(3-phenylprop-2-enoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2109 |
| Compound Name: | 4-phenyl-5-[1-(3-phenylprop-2-enoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(/C=C\c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3873 |
| logD: | 3.364 |
| logSw: | -3.4271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | YYPRURLXTRRXBR-UHFFFAOYSA-N |