4-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Chemical Structure Depiction of
4-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
4-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Compound characteristics
| Compound ID: | D715-1496 |
| Compound Name: | 4-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C22 H20 Cl N O6 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NCCCC(O)=O)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3293 |
| logD: | -0.4916 |
| logSw: | -3.3589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.522 |
| InChI Key: | UVMGWVQDJRURTE-UHFFFAOYSA-N |