2-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-0918 |
Compound Name: | 2-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 363.73 |
Molecular Formula: | C15 H11 Cl F N5 O3 |
Smiles: | Cc1cc(ccc1Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)F |
Stereo: | ACHIRAL |
logP: | 3.9267 |
logD: | 3.9267 |
logSw: | -4.2693 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.386 |
InChI Key: | JGZOTWUHWPCUBJ-UHFFFAOYSA-N |