N-(4-chloro-3-methylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-chloro-3-methylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(4-chloro-3-methylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1701 |
| Compound Name: | N-(4-chloro-3-methylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C24 H18 Cl N5 O2 |
| Smiles: | Cc1cc(ccc1[Cl])NC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8339 |
| logD: | 5.8311 |
| logSw: | -6.0917 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.656 |
| InChI Key: | XBTXNCPRFKGFDI-UHFFFAOYSA-N |