N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0461 |
| Compound Name: | N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC(C(NCCC(O)=O)=O)Oc1ccc2C(C)=C(C)C(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7946 |
| logD: | -1.9011 |
| logSw: | -2.2797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.859 |
| InChI Key: | RBXKLBIDWLOQPT-NSHDSACASA-N |