N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-0397 |
Compound Name: | N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 343.32 |
Molecular Formula: | C16 H14 F N5 O3 |
Smiles: | Cc1cccc(c1)n1nc(c(NCc2ccc(cc2)F)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.0627 |
logD: | 3.0627 |
logSw: | -3.1547 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.406 |
InChI Key: | KJWOOCGQGKVRIR-UHFFFAOYSA-N |