N-[1-(2-anilino-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[1-(2-anilino-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide
N-[1-(2-anilino-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2192 |
| Compound Name: | N-[1-(2-anilino-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide |
| Molecular Weight: | 339.33 |
| Molecular Formula: | C17 H14 F N5 O2 |
| Smiles: | C(C(Nc1ccccc1)=O)n1cnc(NC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.31 |
| logD: | 1.6103 |
| logSw: | -2.8267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | CYSZHRDKGNMNEJ-UHFFFAOYSA-N |