N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-0527 |
| Compound Name: | N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5608 |
| logD: | 4.5552 |
| logSw: | -4.579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.361 |
| InChI Key: | DLTDFVKRGRJJAY-UHFFFAOYSA-N |