N-[4-(1-{2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}ethyl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(1-{2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}ethyl)phenyl]acetamide
N-[4-(1-{2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}ethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8004-1089 |
| Compound Name: | N-[4-(1-{2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}ethyl)phenyl]acetamide |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C27 H27 N9 O3 |
| Smiles: | C/C(c1ccc(cc1)NC(C)=O)=N/Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(Nc2ccc(C)c(C)c2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8289 |
| logD: | 6.8251 |
| logSw: | -5.6513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.4 |
| InChI Key: | BQTOFKGKKULGHN-UHFFFAOYSA-N |