4-[(6,8-dibromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(6,8-dibromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
4-[(6,8-dibromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8007-4093 |
| Compound Name: | 4-[(6,8-dibromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 467.07 |
| Molecular Formula: | C17 H9 Br2 N O5 |
| Smiles: | C1=C(C(Nc2ccc(cc2)C(O)=O)=O)C(=O)Oc2c1cc(cc2[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4574 |
| logD: | 2.0622 |
| logSw: | -4.5489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.344 |
| InChI Key: | YKRJYBLIPVQHIC-UHFFFAOYSA-N |