N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}-beta-alanine
N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0504 |
| Compound Name: | N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CC(C(NCCC(O)=O)=O)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7245 |
| logD: | -0.9712 |
| logSw: | -1.7233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.946 |
| InChI Key: | VAYCDPIEDBVKOD-LBPRGKRZSA-N |