3-bromo-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
3-bromo-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | G952-0328 |
| Compound Name: | 3-bromo-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 460.31 |
| Molecular Formula: | C18 H14 Br N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(NC(c1cccc(c1)[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.774 |
| logD: | 3.5908 |
| logSw: | -4.1361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | YNIBGAUBKZHOFQ-UHFFFAOYSA-N |