N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-2,4-dinitrobenzamide
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2081-0532 |
| Compound Name: | N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-2,4-dinitrobenzamide |
| Molecular Weight: | 445.39 |
| Molecular Formula: | C23 H15 N3 O7 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4084 |
| logD: | 4.2637 |
| logSw: | -4.478 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.442 |
| InChI Key: | YRMAVGPWVDHDIO-UHFFFAOYSA-N |