4-tert-butyl-N-[3-(2-methoxy-4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(2-methoxy-4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(2-methoxy-4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3777 |
| Compound Name: | 4-tert-butyl-N-[3-(2-methoxy-4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C27 H26 N4 O7 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(cc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0091 |
| logD: | 4.5157 |
| logSw: | -5.524 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.95 |
| InChI Key: | ZKHOBVXCHOVCHW-UHFFFAOYSA-N |