N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluorobenzamide
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | E157-3217 |
| Compound Name: | N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluorobenzamide |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C18 H14 F N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(NC(c1ccc(cc1)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.9542 |
| logD: | 2.7565 |
| logSw: | -3.5969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | CDNYZQDOTDXWQA-UHFFFAOYSA-N |