2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-1660 |
| Compound Name: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C25 H29 N O6 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OC([C@H]([C@H](C)CC)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3136 |
| logD: | 5.3135 |
| logSw: | -5.3246 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | WPAANRZIOHWEDO-OSPHWJPCSA-N |