6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
Compound characteristics
| Compound ID: | IB07-1572 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C25 H26 Cl N O6 |
| Smiles: | CCC(C)C(C(=O)Oc1cc2c(cc1[Cl])C(C)=C(C)C(=O)O2)NC(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.96 |
| logD: | 5.96 |
| logSw: | -6.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.05 |
| InChI Key: | LKFIIXBFSIJOEG-UHFFFAOYSA-N |