4-ethoxy-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-ethoxy-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
4-ethoxy-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8010-1601 |
| Compound Name: | 4-ethoxy-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C25 H20 N2 O6 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(C2=Cc3ccccc3OC2=O)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5769 |
| logD: | 4.5741 |
| logSw: | -4.4284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.271 |
| InChI Key: | ZUJYYVHLLWHAOK-UHFFFAOYSA-N |