6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-4687 |
| Compound Name: | 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 595.28 |
| Molecular Formula: | C25 H25 Br2 N O6 |
| Smiles: | CC1=CC(=O)Oc2c1cc(CC(C[Br])[Br])c(c2C)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4481 |
| logD: | 5.4481 |
| logSw: | -5.4905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.269 |
| InChI Key: | NQATYEOVTLLZER-IBGZPJMESA-N |