N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0966 |
| Compound Name: | N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 451.22 |
| Molecular Formula: | C16 H14 I N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(Nc2ccc(cc2C)I)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1579 |
| logD: | 5.1579 |
| logSw: | -5.1093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | XPDGGYUJDCVZIE-UHFFFAOYSA-N |