5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1751 |
| Compound Name: | 5-[1-(2-ethoxybenzoyl)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: | CCOc1ccccc1C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6026 |
| logD: | 3.602 |
| logSw: | -3.6071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.149 |
| InChI Key: | NAWLGRJZUXAJAE-UHFFFAOYSA-N |