N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
Chemical Structure Depiction of
N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid
Compound characteristics
| Compound ID: | Y040-8352 |
| Compound Name: | N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-aspartic acid |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C23 H29 N O8 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(N[C@@H](CC(O)=O)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7049 |
| logD: | -1.355 |
| logSw: | -3.0731 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.324 |
| InChI Key: | DEQQLBLPCLYGMH-KRWDZBQOSA-N |