3-methyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-4-nitrobenzamide
3-methyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-0529 |
| Compound Name: | 3-methyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C24 H18 N2 O5 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0332 |
| logD: | 5.0312 |
| logSw: | -4.6776 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.06 |
| InChI Key: | YIGXZHUPJVCTIT-UHFFFAOYSA-N |