1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1794 |
| Compound Name: | 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 465.92 |
| Molecular Formula: | C21 H16 Cl N7 O2 S |
| Smiles: | CCc1nnc(NC(c2c(C)n(c3ccc4c(c3)c(c3ccc(cc3)[Cl])on4)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9942 |
| logD: | 4.2529 |
| logSw: | -5.1513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.696 |
| InChI Key: | HPZFXSRTMPSZRE-UHFFFAOYSA-N |