5-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
5-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2733-3718 |
| Compound Name: | 5-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 575.76 |
| Molecular Formula: | C23 H16 Br Cl N4 O7 |
| Smiles: | COc1ccc(cc1C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2184 |
| logD: | 3.3875 |
| logSw: | -5.673 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.347 |
| InChI Key: | VFVDZLCRDWIMFP-UHFFFAOYSA-N |