4-({2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y042-9623 |
| Compound Name: | 4-({2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C27 H29 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4917 |
| logD: | 0.9314 |
| logSw: | -3.7568 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.188 |
| InChI Key: | SKUGZRGAYUSNFO-UHFFFAOYSA-N |