N-(3-acetylphenyl)-6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxamide
N-(3-acetylphenyl)-6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 3720-3676 |
| Compound Name: | N-(3-acetylphenyl)-6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 465.1 |
| Molecular Formula: | C18 H11 Br2 N O4 |
| Smiles: | CC(c1cccc(c1)NC(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3501 |
| logD: | 4.2839 |
| logSw: | -4.5387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.762 |
| InChI Key: | TZFNVQXARUTBFE-UHFFFAOYSA-N |