N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0486 |
| Compound Name: | N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CC(C(NCCC(O)=O)=O)Oc1ccc2C(C)=C(C)C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5248 |
| logD: | -1.1709 |
| logSw: | -2.171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.63 |
| InChI Key: | GDFVDVBEXAIGBX-LBPRGKRZSA-N |