4-({2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y040-3604 |
| Compound Name: | 4-({2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C20 H23 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(NC[C@@H]1CC[C@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5314 |
| logD: | -1.0289 |
| logSw: | -2.3557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.945 |
| InChI Key: | YLCKQNHDIIGLSU-UHFFFAOYSA-N |