3-(4-fluoro-3-methylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-fluoro-3-methylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
3-(4-fluoro-3-methylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0902 |
| Compound Name: | 3-(4-fluoro-3-methylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C17 H13 F O4 S |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)S(c2ccc(c(C)c2)F)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4931 |
| logD: | 3.4931 |
| logSw: | -3.7286 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | WPGDICSWHHVZGF-UHFFFAOYSA-N |