8-ethoxy-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
8-ethoxy-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1111 |
| Compound Name: | 8-ethoxy-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 362.37 |
| Molecular Formula: | C18 H15 F O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)S(c1ccc(c(C)c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.604 |
| logD: | 3.604 |
| logSw: | -3.8756 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | NBVTXPBSMMACKP-UHFFFAOYSA-N |