5-{1-[(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2442 |
| Compound Name: | 5-{1-[(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(Cc2c(cccc2[Cl])F)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.1723 |
| logD: | 4.1491 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | MROZBHZHMJGHFZ-UHFFFAOYSA-N |