1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1920 |
| Compound Name: | 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 471.95 |
| Molecular Formula: | C26 H22 Cl N5 O2 |
| Smiles: | CCc1cccc(C)c1NC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Cl])on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8346 |
| logD: | 5.8345 |
| logSw: | -6.0982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.26 |
| InChI Key: | NLRRRTCSOXLMRA-UHFFFAOYSA-N |