N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxybenzamide
N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | G952-2169 |
| Compound Name: | N-[3-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxybenzamide |
| Molecular Weight: | 403.82 |
| Molecular Formula: | C17 H11 Cl F N5 O2 S |
| Smiles: | COc1cccc(c1)C(Nc1nn2c(c3ccc(c(c3)[Cl])F)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.903 |
| logD: | 3.896 |
| logSw: | -4.5251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.669 |
| InChI Key: | XQVDTLIFYZFZIH-UHFFFAOYSA-N |