N-[4-(4-chlorophenoxy)phenyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[4-(4-chlorophenoxy)phenyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0176 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C20 H14 Cl N5 O4 |
| Smiles: | c1ccc(cc1)n1nc(c(Nc2ccc(cc2)Oc2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1879 |
| logD: | 5.1879 |
| logSw: | -5.851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.831 |
| InChI Key: | FPXVEHIYLGLUAS-UHFFFAOYSA-N |