N-[3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-beta-alanine
N-[3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-beta-alanine
Compound characteristics
| Compound ID: | D715-1341 |
| Compound Name: | N-[3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(CCC(NCCC(O)=O)=O)C(=O)Oc2cc(ccc12)OC |
| Stereo: | ACHIRAL |
| logP: | 0.4617 |
| logD: | -2.2339 |
| logSw: | -2.2244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.401 |
| InChI Key: | MKRPZTCLKSRKFT-UHFFFAOYSA-N |