4-[(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
4-[(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3111 |
| Compound Name: | 4-[(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 483.95 |
| Molecular Formula: | C26 H26 Cl N O6 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7012 |
| logD: | 1.1408 |
| logSw: | -4.0801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.625 |
| InChI Key: | GGMIXPCGIQZRRH-UHFFFAOYSA-N |