3-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
3-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
3-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3638 |
| Compound Name: | 3-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 575.76 |
| Molecular Formula: | C23 H16 Br Cl N4 O7 |
| Smiles: | COc1ccc(cc1[Br])C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1136 |
| logD: | 3.5812 |
| logSw: | -5.8478 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.347 |
| InChI Key: | LKCGNOWXXIJUFX-UHFFFAOYSA-N |