4-benzyl-5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0861 |
| Compound Name: | 4-benzyl-5-{1-[(4-chlorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C23 H25 Cl N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(Cc2ccc(cc2)[Cl])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1836 |
| logD: | 4.1835 |
| logSw: | -4.5081 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.217 |
| InChI Key: | OYLPYFDIEMBQMS-UHFFFAOYSA-N |