2-methyl-5-[1-(2-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(2-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(2-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1267 |
| Compound Name: | 2-methyl-5-[1-(2-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CC(C(N1CCC(CC1)C1=NN(C)C(N1C(C)C)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3047 |
| logD: | 3.2984 |
| logSw: | -3.3292 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.737 |
| InChI Key: | USNZTNJZWRTNKB-OAHLLOKOSA-N |