4-{1-[(2-ethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(2-ethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(2-ethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0179 |
| Compound Name: | 4-{1-[(2-ethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C18 H26 N4 O2 |
| Smiles: | CCOc1ccccc1CN1CCC(CC1)N1C(C)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7666 |
| logD: | 1.1204 |
| logSw: | -2.7031 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.104 |
| InChI Key: | HNCIIBKHQYEQQQ-UHFFFAOYSA-N |