2-chloro-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
2-chloro-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2871-3875 |
| Compound Name: | 2-chloro-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 480.86 |
| Molecular Formula: | C23 H17 Cl N4 O6 |
| Smiles: | Cc1cccc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9157 |
| logD: | 3.1865 |
| logSw: | -5.0274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.017 |
| InChI Key: | WKBMBTXEYOHQNG-UHFFFAOYSA-N |