N-(4-iodo-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-iodo-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-iodo-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0175 |
| Compound Name: | N-(4-iodo-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 437.19 |
| Molecular Formula: | C15 H12 I N5 O3 |
| Smiles: | Cc1cc(ccc1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O)I |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 4.5686 |
| logSw: | -4.4268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | DGYJHVVMYICDOO-UHFFFAOYSA-N |