3-(4-{2-[(7-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Chemical Structure Depiction of
3-(4-{2-[(7-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
3-(4-{2-[(7-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Compound characteristics
| Compound ID: | 0400-0004 |
| Compound Name: | 3-(4-{2-[(7-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C22 H19 N3 O6 |
| Smiles: | Cc1ccc2C(C(=COc2c1)/C=N/NC(CCC(Nc1cccc(c1)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8635 |
| logD: | -0.0223 |
| logSw: | -3.3386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.791 |
| InChI Key: | LXWPOWHMFYTTNB-UHFFFAOYSA-N |