N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0088 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 363.73 |
| Molecular Formula: | C15 H11 Cl F N5 O3 |
| Smiles: | C(c1ccc(cc1[Cl])F)Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4673 |
| logD: | 3.4673 |
| logSw: | -3.7188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.406 |
| InChI Key: | RBXPQYNWSONQRP-UHFFFAOYSA-N |