N-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
N-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0412 |
| Compound Name: | N-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C19 H23 N O6 |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(NCCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9287 |
| logD: | -0.767 |
| logSw: | -2.776 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.116 |
| InChI Key: | OOPGGGUGZOPKIG-LBPRGKRZSA-N |