4-tert-butyl-N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
4-tert-butyl-N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | G952-2133 |
| Compound Name: | 4-tert-butyl-N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C20 H18 Cl N5 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nn2c(c3cccc(c3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7582 |
| logD: | 5.7233 |
| logSw: | -5.9637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | PNXQQDLVUFUOCB-UHFFFAOYSA-N |