3-(4-fluorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-alaninate
Chemical Structure Depiction of
3-(4-fluorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-alaninate
3-(4-fluorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-alaninate
Compound characteristics
| Compound ID: | Y040-8028 |
| Compound Name: | 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-alaninate |
| Molecular Weight: | 475.47 |
| Molecular Formula: | C27 H22 F N O6 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC([C@H](C)NC(=O)OCc1ccccc1)=O)=O)c1ccc(cc1)F |
| Stereo: | ABSOLUTE |
| logP: | 5.0743 |
| logD: | 5.0743 |
| logSw: | -4.9429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.008 |
| InChI Key: | XWQVMEVIDIWDAX-INIZCTEOSA-N |