4-({2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2256 |
| Compound Name: | 4-({2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(C)cc(c12)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6587 |
| logD: | 0.0984 |
| logSw: | -2.7433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.032 |
| InChI Key: | AIKXQDGJPPLSHC-UHFFFAOYSA-N |