4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8135 |
| Compound Name: | 4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C24 H25 N O6 |
| Smiles: | CCCC1=C(C)c2ccc(cc2OC1=O)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3586 |
| logD: | 4.3586 |
| logSw: | -4.6116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.926 |
| InChI Key: | BNYUPDMUVXFPBN-UHFFFAOYSA-N |