2-bromo-5-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-5-methoxy-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2628-3277 |
| Compound Name: | 2-bromo-5-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(c(c1)C(NC(=C\c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6294 |
| logD: | 4.3114 |
| logSw: | -4.5806 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.561 |
| InChI Key: | QVESMSLZZHUNIV-UHFFFAOYSA-N |