N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0676 |
| Compound Name: | N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 420.43 |
| Molecular Formula: | C24 H16 N6 O2 |
| Smiles: | Cc1c(C(Nc2ccccc2C#N)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.2189 |
| logD: | 4.1836 |
| logSw: | -4.3678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.014 |
| InChI Key: | PFEQCRITBJJGSR-UHFFFAOYSA-N |