N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2202 |
| Compound Name: | N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 353.35 |
| Molecular Formula: | C18 H16 F N5 O2 |
| Smiles: | C(c1ccccc1)NC(Cn1cnc(NC(c2ccc(cc2)F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0795 |
| logD: | 1.3798 |
| logSw: | -2.736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.023 |
| InChI Key: | JVQMAIGNTNGAJS-UHFFFAOYSA-N |