N-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanylglycine
Chemical Structure Depiction of
N-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanylglycine
N-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanylglycine
Compound characteristics
| Compound ID: | Y040-8473 |
| Compound Name: | N-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanylglycine |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C25 H26 N2 O7 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCC(NCCC(NCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3175 |
| logD: | -2.5687 |
| logSw: | -2.1468 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.327 |
| InChI Key: | GAGLQKXPXHLPNV-UHFFFAOYSA-N |