3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
Compound ID: | Y041-1702 |
Compound Name: | 3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
Molecular Weight: | 395.41 |
Molecular Formula: | C22 H21 N O6 |
Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OC(CCNC(=O)OCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.4207 |
logD: | 3.4207 |
logSw: | -3.8885 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.926 |
InChI Key: | NPNAHKCIPUQMQA-UHFFFAOYSA-N |