N-(2,5-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2,5-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1845 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C25 H21 N5 O4 |
| Smiles: | Cc1c(C(Nc2cc(ccc2OC)OC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.4851 |
| logD: | 4.4675 |
| logSw: | -4.4709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.132 |
| InChI Key: | XLBUSWFGBQBUHE-UHFFFAOYSA-N |