6-bromo-3-(3,5-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(3,5-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-bromo-3-(3,5-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-7180 |
| Compound Name: | 6-bromo-3-(3,5-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 393.25 |
| Molecular Formula: | C17 H13 Br O4 S |
| Smiles: | Cc1cc(C)cc(c1)S(C1=Cc2cc(ccc2OC1=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1892 |
| logD: | 4.1892 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | GQCZMALITYORDP-UHFFFAOYSA-N |