3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2445 |
| Compound Name: | 3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 450.27 |
| Molecular Formula: | C21 H17 Cl2 N O6 |
| Smiles: | CC1=C(C(=O)Oc2cc(c(cc12)[Cl])OC(CCNC(=O)OCc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3515 |
| logD: | 4.3515 |
| logSw: | -4.6605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.012 |
| InChI Key: | SGWGFAQHIZYTEM-UHFFFAOYSA-N |