4-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
4-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Compound characteristics
| Compound ID: | Y040-8348 |
| Compound Name: | 4-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(NCCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8666 |
| logD: | 1.0457 |
| logSw: | -3.9058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.127 |
| InChI Key: | NTANGUZPCJVHRW-UHFFFAOYSA-N |