N-{1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
N-{1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D524-1307 |
| Compound Name: | N-{1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 353.35 |
| Molecular Formula: | C18 H16 F N5 O2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ncn(CC(Nc2ccccc2F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6762 |
| logD: | 2.4774 |
| logSw: | -3.0546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.003 |
| InChI Key: | ZKLNMEKZSNKOKC-UHFFFAOYSA-N |