2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-1429 |
| Compound Name: | 2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H27 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C(=CC(=O)Oc2c1)c1ccccc1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3699 |
| logD: | 5.3698 |
| logSw: | -5.4216 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.347 |
| InChI Key: | UXYSPIMGKIZBNS-WINIVTDRSA-N |