4-[(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
4-[(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-1272 |
| Compound Name: | 4-[(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C27 H29 N O8 |
| Smiles: | CCOc1ccccc1OC1=COc2cc(ccc2C1=O)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1231 |
| logD: | 0.5628 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.166 |
| InChI Key: | SZLMHHFBIVQISQ-UHFFFAOYSA-N |