4-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
Chemical Structure Depiction of
4-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
4-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
Compound characteristics
| Compound ID: | Y041-2391 |
| Compound Name: | 4-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(CC(NCCCC(O)=O)=O)C(=O)Oc2cc(C)cc(c12)O |
| Stereo: | ACHIRAL |
| logP: | 1.0746 |
| logD: | -1.7463 |
| logSw: | -1.5886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.405 |
| InChI Key: | VGNFBTTWCRUTSQ-UHFFFAOYSA-N |