4-ethyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0299 |
| Compound Name: | 4-ethyl-2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | CCN1C(C2CCN(CC2)C(Cc2cccc(C)c2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9789 |
| logD: | 2.9781 |
| logSw: | -2.8596 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.214 |
| InChI Key: | IIORCVLQHXKULF-UHFFFAOYSA-N |