5-nitro-3-oxo-2-phenyl-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
5-nitro-3-oxo-2-phenyl-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
5-nitro-3-oxo-2-phenyl-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C323-0029 |
| Compound Name: | 5-nitro-3-oxo-2-phenyl-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | CC(CCc1ccccc1)Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6934 |
| logD: | 3.6934 |
| logSw: | -3.9727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.847 |
| InChI Key: | UEVHHEURSMYBKQ-AWEZNQCLSA-N |