5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1041 |
| Compound Name: | 5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1867 |
| logD: | 4.186 |
| logSw: | -4.5244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.868 |
| InChI Key: | NBNWXEUNDDOUJY-UHFFFAOYSA-N |