3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8051 |
| Compound Name: | 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 491.93 |
| Molecular Formula: | C27 H22 Cl N O6 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC(CCNC(=O)OCc1ccccc1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0675 |
| logD: | 5.0675 |
| logSw: | -5.2378 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.091 |
| InChI Key: | FSINVGVIFURYLX-UHFFFAOYSA-N |