4-(4-{2-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Chemical Structure Depiction of
4-(4-{2-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
4-(4-{2-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-4-oxobutanamido)benzoic acid
Compound characteristics
| Compound ID: | 0400-0025 |
| Compound Name: | 4-(4-{2-[(6-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(c1)C(C(=CO2)/C=N/NC(CCC(Nc1ccc(cc1)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.405 |
| logD: | 0.0098 |
| logSw: | -2.9942 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.791 |
| InChI Key: | CLOZOKBKEGRMOO-UHFFFAOYSA-N |