2,5-dimethyl-4-[1-(2-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(2-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(2-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0022 |
| Compound Name: | 2,5-dimethyl-4-[1-(2-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | CC(C(N1CCC(CC1)N1C(C)=NN(C)C1=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6101 |
| logD: | 2.61 |
| logSw: | -2.7044 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.81 |
| InChI Key: | SSVHOLJRVMHQJA-CYBMUJFWSA-N |