4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y040-7980 |
| Compound Name: | 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 547.51 |
| Molecular Formula: | C26 H20 F3 N O7 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1739 |
| logD: | 5.1738 |
| logSw: | -4.9307 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.269 |
| InChI Key: | HYLPQLOHEBGXMB-UHFFFAOYSA-N |