2-(2-chloro-6-fluorophenyl)-1-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-chloro-6-fluorophenyl)-1-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
2-(2-chloro-6-fluorophenyl)-1-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T630-1990 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-1-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one |
| Molecular Weight: | 336.79 |
| Molecular Formula: | C16 H18 Cl F N4 O |
| Smiles: | Cc1nnc(C2CCN(CC2)C(Cc2c(cccc2[Cl])F)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.0118 |
| logD: | 2.0087 |
| logSw: | -2.6722 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.757 |
| InChI Key: | KFRXXADLXYISNR-UHFFFAOYSA-N |