4-(4-{2-[(6-fluoro-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Chemical Structure Depiction of
4-(4-{2-[(6-fluoro-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
4-(4-{2-[(6-fluoro-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Compound characteristics
| Compound ID: | 0400-0024 |
| Compound Name: | 4-(4-{2-[(6-fluoro-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid |
| Molecular Weight: | 425.37 |
| Molecular Formula: | C21 H16 F N3 O6 |
| Smiles: | C(CC(N/N=C/C1=COc2ccc(cc2C1=O)F)=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2239 |
| logD: | -0.1713 |
| logSw: | -3.1111 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.791 |
| InChI Key: | QWQRRKRHWJYWQN-UHFFFAOYSA-N |