4-{2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
4-{2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid
Compound characteristics
| Compound ID: | D715-0508 |
| Compound Name: | 4-{2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C23 H23 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(NCCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1198 |
| logD: | -0.7011 |
| logSw: | -3.0546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.085 |
| InChI Key: | XEHXBPXBCPSHIV-UHFFFAOYSA-N |