2-(3-chlorophenyl)-N-(3-fluorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-(3-fluorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-chlorophenyl)-N-(3-fluorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1070 |
| Compound Name: | 2-(3-chlorophenyl)-N-(3-fluorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 349.71 |
| Molecular Formula: | C14 H9 Cl F N5 O3 |
| Smiles: | c1cc(cc(c1)F)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7583 |
| logD: | 3.7583 |
| logSw: | -4.1308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | NWYJSUSPRMUTJP-UHFFFAOYSA-N |