3-[5-({2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-({2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
3-[5-({2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 1994-0239 |
| Compound Name: | 3-[5-({2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 564.56 |
| Molecular Formula: | C29 H24 N8 O5 |
| Smiles: | Cc1ccc(cc1C)Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(N/N=C\c2ccc(c3cccc(c3)C(O)=O)o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.6661 |
| logD: | 5.1535 |
| logSw: | -5.6964 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 141.829 |
| InChI Key: | FYIMQBIQHTYBBO-UHFFFAOYSA-N |