5-(1-benzoylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-(1-benzoylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-(1-benzoylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1778 |
| Compound Name: | 5-(1-benzoylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(c3ccccc3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1609 |
| logD: | 3.1603 |
| logSw: | -3.1284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | NBDFDNBLIFSODD-UHFFFAOYSA-N |