6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]valinate
Chemical Structure Depiction of
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]valinate
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]valinate
Compound characteristics
| Compound ID: | Y041-5154 |
| Compound Name: | 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]valinate |
| Molecular Weight: | 623.34 |
| Molecular Formula: | C27 H29 Br2 N O6 |
| Smiles: | CC(C)[C@@H](C(=O)Oc1c(CC(C[Br])[Br])cc2C(C)=CC(=O)Oc2c1C)NC(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9478 |
| logD: | 6.9478 |
| logSw: | -5.7438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.375 |
| InChI Key: | KOKUZDLUKHUQFA-AKRCKQFNSA-N |