1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1770 |
| Compound Name: | 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 436.88 |
| Molecular Formula: | C20 H13 Cl N6 O2 S |
| Smiles: | Cc1c(C(Nc2nccs2)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 4.5688 |
| logD: | 4.5491 |
| logSw: | -4.7939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.134 |
| InChI Key: | ZNINFGAGNRKPFM-UHFFFAOYSA-N |