N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0488 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 359.31 |
| Molecular Formula: | C16 H14 F N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCc2ccc(cc2)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5773 |
| logD: | 2.5773 |
| logSw: | -2.7966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.949 |
| InChI Key: | ZDTRFVQCYLKGDI-UHFFFAOYSA-N |