4-tert-butyl-N-[3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3771 |
| Compound Name: | 4-tert-butyl-N-[3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.921 |
| logD: | 5.6031 |
| logSw: | -5.6592 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.017 |
| InChI Key: | HSAVQQVNBRUIEO-UHFFFAOYSA-N |