5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0153 |
| Compound Name: | 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3cc(ccc3F)[Cl])=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6371 |
| logD: | 4.6364 |
| logSw: | -4.7204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | DCUIVOQSYGDJPS-UHFFFAOYSA-N |