4-tert-butyl-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
4-tert-butyl-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Compound characteristics
| Compound ID: | C200-4710 |
| Compound Name: | 4-tert-butyl-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C22 H21 Cl N6 O S |
| Smiles: | Cc1c(c2nc(NC(c3ccc(cc3)C(C)(C)C)=O)sn2)nnn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9204 |
| logD: | 5.9152 |
| logSw: | -6.253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | URKYFMQVQVPNQG-UHFFFAOYSA-N |