6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1608 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C22 H20 Cl N O6 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OC(CCNC(=O)OCc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1994 |
| logD: | 4.1994 |
| logSw: | -4.6146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.012 |
| InChI Key: | SVIJSZUJBNXZOV-UHFFFAOYSA-N |