1-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
1-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y040-4441 |
| Compound Name: | 1-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | CC1=C(CC(N2CCC(CC2)(C(O)=O)c2ccccc2)=O)C(=O)Oc2cc(C)cc(c12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1579 |
| logD: | 0.6167 |
| logSw: | -3.373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.048 |
| InChI Key: | IQPXNVQVOQMUMN-UHFFFAOYSA-N |