4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1704 |
| Compound Name: | 4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C27 H23 N O7 |
| Smiles: | COc1ccc(cc1)C1=CC(=O)Oc2cc(ccc12)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9608 |
| logD: | 3.9608 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.684 |
| InChI Key: | QBNPPSIVZYJDHZ-UHFFFAOYSA-N |