5-[1-(2-chloro-6-fluorobenzoyl)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-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2409 |
| Compound Name: | 5-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 414.87 |
| Molecular Formula: | C21 H20 Cl F N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2c(cccc2[Cl])F)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.8339 |
| logD: | 3.8107 |
| logSw: | -4.5424 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.784 |
| InChI Key: | ASFOMGOLWZUZKI-UHFFFAOYSA-N |