3-(4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Chemical Structure Depiction of
3-(4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
3-(4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Compound characteristics
| Compound ID: | 0400-0005 |
| Compound Name: | 3-(4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid |
| Molecular Weight: | 486.28 |
| Molecular Formula: | C21 H16 Br N3 O6 |
| Smiles: | C(CC(N/N=C/C1=COc2ccc(cc2C1=O)[Br])=O)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1516 |
| logD: | 0.2658 |
| logSw: | -3.5622 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.791 |
| InChI Key: | LYEFJHYPBZKQGJ-UHFFFAOYSA-N |