6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Chemical Structure Depiction of
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | Y041-1579 |
| Compound Name: | 6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(CCCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3684 |
| logD: | 4.3684 |
| logSw: | -4.6082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.498 |
| InChI Key: | IXFHJTKQKDZMFY-UHFFFAOYSA-N |