4-[5-({2-[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({2-[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
4-[5-({2-[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8003-6601 |
| Compound Name: | 4-[5-({2-[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 566.53 |
| Molecular Formula: | C28 H22 N8 O6 |
| Smiles: | COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(N/N=C\c2ccc(c3ccc(cc3)C(O)=O)o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.7203 |
| logD: | 3.9926 |
| logSw: | -5.7632 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 149.372 |
| InChI Key: | ASMYBFBBAROIAG-UHFFFAOYSA-N |