N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide
Compound characteristics
| Compound ID: | G717-5104 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide |
| Molecular Weight: | 388.78 |
| Molecular Formula: | C18 H14 Cl F N4 O3 |
| Smiles: | C(CNC(c1ccc(c(c1)[Cl])F)=O)c1nc(c2ccc3c(c2)OCO3)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1152 |
| logD: | 3.1032 |
| logSw: | -3.6866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.384 |
| InChI Key: | VOFSUBNULHNYFD-UHFFFAOYSA-N |