5-{1-[(2-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(2-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(2-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1804 |
| Compound Name: | 5-{1-[(2-chlorophenyl)acetyl]piperidin-4-yl}-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(Cc3ccccc3[Cl])=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2586 |
| logD: | 4.258 |
| logSw: | -4.3728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.412 |
| InChI Key: | ZKZGYBAMZVHDTI-UHFFFAOYSA-N |