5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2192 |
| Compound Name: | 5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C22 H23 Cl N4 O3 |
| Smiles: | COc1ccc(CC(N2CCC(CC2)C2=NNC(N2c2ccccc2)=O)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3646 |
| logD: | 3.3414 |
| logSw: | -3.6668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.887 |
| InChI Key: | QQVCRXYPCXWMBB-UHFFFAOYSA-N |