6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | IB09-3748 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.55 |
| logD: | 4.55 |
| logSw: | -5.31 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.62 |
| InChI Key: | HZZFISONFFRDDE-UHFFFAOYSA-N |