N-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1292 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 384.15 |
| Molecular Formula: | C14 H8 Cl2 F N5 O3 |
| Smiles: | c1cc(cc(c1)[Cl])n1nc(c(Nc2ccc(cc2[Cl])F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.355 |
| logD: | 4.3549 |
| logSw: | -4.4527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | IESRKCIMYXLKAZ-UHFFFAOYSA-N |