(2S)-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}(phenyl)acetic acid
Chemical Structure Depiction of
(2S)-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}(phenyl)acetic acid
(2S)-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}(phenyl)acetic acid
Compound characteristics
| Compound ID: | Y041-4888 |
| Compound Name: | (2S)-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}(phenyl)acetic acid |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C26 H29 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(N[C@H](C(O)=O)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.4888 |
| logD: | 0.6144 |
| logSw: | -4.372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.619 |
| InChI Key: | SOMODUIHNYEFNG-XMMPIXPASA-N |