N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2246 |
| Compound Name: | N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C19 H18 F N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1cnc(NC(c2ccc(cc2)F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1947 |
| logD: | 2.495 |
| logSw: | -3.3065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | PIHWKGBHKYPGNM-UHFFFAOYSA-N |