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 |