5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2321 |
| Compound Name: | 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | CCOc1ccccc1C(N1CCC(CC1)C1=NNC(N1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5679 |
| logD: | 3.5447 |
| logSw: | -3.5605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.994 |
| InChI Key: | XDQKXDKIZPYURR-UHFFFAOYSA-N |