N-[3-(3-fluoro-4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[3-(3-fluoro-4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
N-[3-(3-fluoro-4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | G952-0945 |
| Compound Name: | N-[3-(3-fluoro-4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C18 H14 F N5 O S |
| Smiles: | Cc1cccc(c1)C(Nc1nn2c(c3ccc(C)c(c3)F)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3415 |
| logD: | 4.252 |
| logSw: | -4.3752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | IHUFIJLQAFOADK-UHFFFAOYSA-N |