N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1734 |
| Compound Name: | N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 471.9 |
| Molecular Formula: | C25 H18 Cl N5 O3 |
| Smiles: | CC(c1cccc(c1)NC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Cl])on3)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0442 |
| logD: | 5.0406 |
| logSw: | -5.3005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.483 |
| InChI Key: | OQTXGQSEVUSIDB-UHFFFAOYSA-N |