3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8041 |
| Compound Name: | 3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 488.45 |
| Molecular Formula: | C26 H20 N2 O8 |
| Smiles: | C(CNC(=O)OCc1ccccc1)C(=O)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8736 |
| logD: | 3.8736 |
| logSw: | -4.3691 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.007 |
| InChI Key: | SOBPHIVGPDBYGW-UHFFFAOYSA-N |