2-methyl-4-phenyl-5-(1-propanoylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-phenyl-5-(1-propanoylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-(1-propanoylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4626 |
| Compound Name: | 2-methyl-4-phenyl-5-(1-propanoylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | CCC(N1CCCC(C1)C1=NN(C)C(N1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9918 |
| logD: | 1.9917 |
| logSw: | -1.9354 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.811 |
| InChI Key: | QRCNJUNPJICRJC-ZDUSSCGKSA-N |