4-benzyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4086 |
| Compound Name: | 4-benzyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1cccc(CC(N2CCCC(C2)C2=NN(C)C(N2Cc2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3485 |
| logD: | 4.3485 |
| logSw: | -4.3868 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.151 |
| InChI Key: | RLSAWCJRCCNWAK-NRFANRHFSA-N |