4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1922 |
| Compound Name: | 4,8-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=CC(=O)Oc2c1ccc(c2C)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4164 |
| logD: | 3.4164 |
| logSw: | -3.7872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.182 |
| InChI Key: | KSDYNVDIGYARNC-UHFFFAOYSA-N |