5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2264 |
| Compound Name: | 5-{1-[(4-chloro-2-methylphenoxy)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: | Cc1cc(ccc1OCC(N1CCC(CC1)C1=NNC(N1c1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9702 |
| logD: | 3.947 |
| logSw: | -4.3014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.842 |
| InChI Key: | ISBQENYDCCVWQQ-UHFFFAOYSA-N |