2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y040-3638 |
| Compound Name: | 2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C=CC(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1988 |
| logD: | 4.1987 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | UGUQELNWSFJRFX-VFNWGFHPSA-N |