2-methyl-5-[1-(3-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-(3-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1302 |
| Compound Name: | 2-methyl-5-[1-(3-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)N1C(C2CCN(CC2)C(CCc2ccccc2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9581 |
| logD: | 2.9519 |
| logSw: | -3.1081 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.21 |
| InChI Key: | NBAMJGMEWYCQLD-UHFFFAOYSA-N |