3-tert-butyl-6-[(4-chlorophenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-tert-butyl-6-[(4-chlorophenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-tert-butyl-6-[(4-chlorophenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0109 |
| Compound Name: | 3-tert-butyl-6-[(4-chlorophenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 306.81 |
| Molecular Formula: | C14 H15 Cl N4 S |
| Smiles: | CC(C)(C)c1nnc2n1nc(Cc1ccc(cc1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8838 |
| logD: | 3.8838 |
| logSw: | -4.3116 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.488 |
| InChI Key: | NUPINYUSVCQRLG-UHFFFAOYSA-N |