1-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)piperidine-4-carboxylic acid
1-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y040-5042 |
| Compound Name: | 1-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)piperidine-4-carboxylic acid |
| Molecular Weight: | 455.89 |
| Molecular Formula: | C24 H22 Cl N O6 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(N1CCC(CC1)C(O)=O)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4091 |
| logD: | -0.1439 |
| logSw: | -3.3004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.354 |
| InChI Key: | AWCGQLOJRCXRFP-UHFFFAOYSA-N |