4-{[4-(2-chloro-4-nitrophenoxy)phenyl]methyl}-3,5-diphenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
4-{[4-(2-chloro-4-nitrophenoxy)phenyl]methyl}-3,5-diphenyl-4H-1,2,4-triazole
4-{[4-(2-chloro-4-nitrophenoxy)phenyl]methyl}-3,5-diphenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y511-9663 |
| Compound Name: | 4-{[4-(2-chloro-4-nitrophenoxy)phenyl]methyl}-3,5-diphenyl-4H-1,2,4-triazole |
| Molecular Weight: | 482.93 |
| Molecular Formula: | C27 H19 Cl N4 O3 |
| Smiles: | C(c1ccc(cc1)Oc1ccc(cc1[Cl])[N+]([O-])=O)n1c(c2ccccc2)nnc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.848 |
| logD: | 6.848 |
| logSw: | -6.735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.6 |
| InChI Key: | OCLWCNZHONOSCL-UHFFFAOYSA-N |