1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1867 |
| Compound Name: | 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 497.9 |
| Molecular Formula: | C24 H16 Cl N9 O2 |
| Smiles: | Cc1c(C(Nc2cccc(c2)n2cnnn2)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 4.6648 |
| logD: | 4.6648 |
| logSw: | -4.8762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.421 |
| InChI Key: | XBQZEBRJIQTDBE-UHFFFAOYSA-N |