4-{[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
4-{[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2340 |
| Compound Name: | 4-{[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C22 H27 N O7 |
| Smiles: | CC1=C(CC(NC[C@@H]2CC[C@H](CC2)C(O)=O)=O)C(=O)Oc2cc(cc(c12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7898 |
| logD: | -0.7706 |
| logSw: | -1.8085 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.134 |
| InChI Key: | XWXNYMBCNPXKCH-UHFFFAOYSA-N |