4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | G952-2113 |
| Compound Name: | 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nn2c(c3ccc(c(c3)OC)OC)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7196 |
| logD: | 4.6848 |
| logSw: | -4.567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | XMUUOJOYXNYMHL-UHFFFAOYSA-N |