N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0192 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 377.76 |
| Molecular Formula: | C16 H13 Cl F N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCc2ccc(cc2[Cl])F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0565 |
| logD: | 4.0565 |
| logSw: | -4.2819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.406 |
| InChI Key: | SYYYPFTVLZTEJJ-UHFFFAOYSA-N |