3-bromo-N-[3-(3,4-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
3-bromo-N-[3-(3,4-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
3-bromo-N-[3-(3,4-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3455 |
| Compound Name: | 3-bromo-N-[3-(3,4-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 565.21 |
| Molecular Formula: | C23 H16 Br Cl2 N3 O5 |
| Smiles: | COc1ccc(cc1[Br])C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3132 |
| logD: | 5.4688 |
| logSw: | -6.4803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | FBUUILBFBDKBCV-UHFFFAOYSA-N |