4-{2-[(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
4-{2-[(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Compound characteristics
| Compound ID: | Y041-2844 |
| Compound Name: | 4-{2-[(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C22 H21 N O7 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NCCCC(O)=O)=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7463 |
| logD: | -1.0746 |
| logSw: | -2.6677 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.859 |
| InChI Key: | HTIPTGBRBIAAMM-UHFFFAOYSA-N |