3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | Y041-1454 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate |
| Molecular Weight: | 519.98 |
| Molecular Formula: | C29 H26 Cl N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OC(CCCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9651 |
| logD: | 5.9651 |
| logSw: | -5.9752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.741 |
| InChI Key: | WOYPWKRZWYRUJX-UHFFFAOYSA-N |