N-{[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
Chemical Structure Depiction of
N-{[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
N-{[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
Compound characteristics
| Compound ID: | Y040-8304 |
| Compound Name: | N-{[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid |
| Molecular Weight: | 405.4 |
| Molecular Formula: | C20 H23 N O8 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(N[C@@H](CC(O)=O)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9798 |
| logD: | -3.08 |
| logSw: | -2.4351 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.81 |
| InChI Key: | DOKGOTLIJGCLBU-AWEZNQCLSA-N |