2-(3-methylphenyl)-5-nitro-3-oxo-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-methylphenyl)-5-nitro-3-oxo-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-methylphenyl)-5-nitro-3-oxo-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0194 |
| Compound Name: | 2-(3-methylphenyl)-5-nitro-3-oxo-N-(4-phenylbutan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | CC(CCc1ccccc1)Nc1c(nn(c2cccc(C)c2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2826 |
| logD: | 4.2826 |
| logSw: | -4.3689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.847 |
| InChI Key: | AEWPPEAPSPCBMO-HNNXBMFYSA-N |