N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}glycyl-beta-alanine
Chemical Structure Depiction of
N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}glycyl-beta-alanine
N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}glycyl-beta-alanine
Compound characteristics
| Compound ID: | Y040-9827 |
| Compound Name: | N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}glycyl-beta-alanine |
| Molecular Weight: | 376.36 |
| Molecular Formula: | C18 H20 N2 O7 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(NCC(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0304 |
| logD: | -2.6653 |
| logSw: | -2.2736 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.827 |
| InChI Key: | NTEWGLXRBFBJTO-UHFFFAOYSA-N |