2-chloro-N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
2-chloro-N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Compound characteristics
Compound ID: | 2681-3605 |
Compound Name: | 2-chloro-N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide |
Molecular Weight: | 494.89 |
Molecular Formula: | C24 H19 Cl N4 O6 |
Smiles: | Cc1cc(C)cc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2487 |
logD: | 3.5196 |
logSw: | -5.7222 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 112.017 |
InChI Key: | WRCUQPDIGKBDMG-UHFFFAOYSA-N |