N-(2,6-dimethylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2,6-dimethylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1927 |
| Compound Name: | N-(2,6-dimethylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C25 H21 N5 O2 |
| Smiles: | Cc1cccc(C)c1NC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6508 |
| logD: | 4.6506 |
| logSw: | -4.4713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.26 |
| InChI Key: | XXQTZRZQNMJAOA-UHFFFAOYSA-N |