N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide
N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | G952-3184 |
| Compound Name: | N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C18 H11 Cl F N5 O S |
| Smiles: | C(=C/c1ccccc1)\C(Nc1nn2c(c3ccc(c(c3)[Cl])F)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6011 |
| logD: | 4.6001 |
| logSw: | -4.8992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.912 |
| InChI Key: | LZAFZDWISMASHC-UHFFFAOYSA-N |