4-benzyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0840 |
| Compound Name: | 4-benzyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | CCOc1ccccc1C(N1CCC(CC1)C1=NN(C)C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6462 |
| logD: | 3.6461 |
| logSw: | -3.7311 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.955 |
| InChI Key: | YVGOPZRWRNXLAF-UHFFFAOYSA-N |