5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0033 |
| Compound Name: | 5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 362.86 |
| Molecular Formula: | C18 H23 Cl N4 O2 |
| Smiles: | CCN1C(C2CCN(CC2)C(Cc2ccc(cc2)[Cl])=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8815 |
| logD: | 2.8807 |
| logSw: | -3.2233 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.214 |
| InChI Key: | YIIZGGXCYVHUMN-UHFFFAOYSA-N |