N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | E157-3792 |
| Compound Name: | N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C18 H14 F N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(NC(c1cccc(c1)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0479 |
| logD: | 2.8647 |
| logSw: | -3.6073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | WJSSJOJHDAQMCS-UHFFFAOYSA-N |