3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1588 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C29 H27 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.373 |
| logD: | 5.373 |
| logSw: | -5.5272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.425 |
| InChI Key: | SAGSYUNTMSGLDV-UHFFFAOYSA-N |