6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]phenylalaninate
Chemical Structure Depiction of
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]phenylalaninate
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]phenylalaninate
Compound characteristics
| Compound ID: | Y041-5153 |
| Compound Name: | 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]phenylalaninate |
| Molecular Weight: | 671.38 |
| Molecular Formula: | C31 H29 Br2 N O6 |
| Smiles: | CC1=CC(=O)Oc2c1cc(CC(C[Br])[Br])c(c2C)OC([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4954 |
| logD: | 7.4954 |
| logSw: | -5.7605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.381 |
| InChI Key: | PBWZQTZTKXSZOZ-JKGBFCRXSA-N |