4-cyclopentyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0334 |
| Compound Name: | 4-cyclopentyl-5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CCOc1ccccc1C(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0656 |
| logD: | 3.0582 |
| logSw: | -3.2774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.543 |
| InChI Key: | OFNWIILLVDOSHE-UHFFFAOYSA-N |