4-({2-[(3-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(3-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(3-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1288 |
| Compound Name: | 4-({2-[(3-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CCC1=C(C)c2ccc(cc2OC1=O)OCC(NC[C@@H]1CC[C@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4571 |
| logD: | -0.1033 |
| logSw: | -2.8822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.459 |
| InChI Key: | SEGTZRRVJWOQKQ-UHFFFAOYSA-N |