N-(4-bromo-3-methylphenyl)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
N-(4-bromo-3-methylphenyl)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0516 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 434.29 |
| Molecular Formula: | C23 H16 Br N O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(C1=C(c2ccccc2)c2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3464 |
| logD: | 5.3458 |
| logSw: | -5.5487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.059 |
| InChI Key: | RJBHKGRGCQGGIU-UHFFFAOYSA-N |