3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y040-3626 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C25 H29 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5496 |
| logD: | 5.5495 |
| logSw: | -5.4737 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.22 |
| InChI Key: | VKXHEBAXIVIVBZ-MWTRTKDXSA-N |