5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1731 |
| Compound Name: | 5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C24 H28 N4 O4 |
| Smiles: | COc1ccc(CC(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5276 |
| logD: | 3.527 |
| logSw: | -3.3664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.956 |
| InChI Key: | ITFNXGLQKCFTFM-UHFFFAOYSA-N |