N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-beta-alanine
Chemical Structure Depiction of
N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-beta-alanine
N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-beta-alanine
Compound characteristics
| Compound ID: | Y040-8426 |
| Compound Name: | N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-beta-alanine |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C15 H17 N O5 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2CNCCC(O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.6159 |
| logD: | 0.6159 |
| logSw: | -2.3267 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.141 |
| InChI Key: | XFBFXTYJUOGPIO-UHFFFAOYSA-N |