2-bromo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-bromo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrobenzamide
2-bromo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2072-0767 |
| Compound Name: | 2-bromo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrobenzamide |
| Molecular Weight: | 479.29 |
| Molecular Formula: | C23 H15 Br N2 O5 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1cc(ccc1[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0393 |
| logD: | 4.9928 |
| logSw: | -4.7491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.361 |
| InChI Key: | NUKBIRUXASLNBM-UHFFFAOYSA-N |