4-{2-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetamido}benzene-1-sulfonic acid
Chemical Structure Depiction of
4-{2-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetamido}benzene-1-sulfonic acid
4-{2-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetamido}benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 8007-8907 |
| Compound Name: | 4-{2-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetamido}benzene-1-sulfonic acid |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C18 H15 N O7 S |
| Smiles: | CC1=CC(=O)Oc2ccc(cc12)OCC(Nc1ccc(cc1)S(O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2029 |
| logD: | -13.9028 |
| logSw: | -2.313 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.437 |
| InChI Key: | YWZZCOGTRYFLTR-UHFFFAOYSA-N |