1-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
1-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | D715-1177 |
| Compound Name: | 1-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C25 H25 N O6 |
| Smiles: | CC1=C(CCC(N2CCC(CC2)(C(O)=O)c2ccccc2)=O)C(=O)Oc2cc(ccc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.3055 |
| logD: | -0.2357 |
| logSw: | -2.7881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.035 |
| InChI Key: | GVKSJVUKSXJIGB-UHFFFAOYSA-N |