3-bromo-4-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-bromo-4-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
3-bromo-4-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3758 |
| Compound Name: | 3-bromo-4-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 541.31 |
| Molecular Formula: | C23 H17 Br N4 O7 |
| Smiles: | COc1ccc(cc1[Br])C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6473 |
| logD: | 4.2112 |
| logSw: | -4.6399 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.648 |
| InChI Key: | KHIWPXLRNWKJHI-UHFFFAOYSA-N |