3-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-5195 |
| Compound Name: | 3-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 423.31 |
| Molecular Formula: | C15 H11 Br N4 O2 S2 |
| Smiles: | COc1ccc(cc1OC)c1nn2c(c3ccc(s3)[Br])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8755 |
| logD: | 3.8755 |
| logSw: | -4.1824 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.001 |
| InChI Key: | VBLPWSWSXNVFII-UHFFFAOYSA-N |