6,8-dibromo-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6,8-dibromo-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0044 |
| Compound Name: | 6,8-dibromo-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 474.12 |
| Molecular Formula: | C16 H10 Br2 O5 S |
| Smiles: | COc1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.492 |
| logD: | 4.492 |
| logSw: | -4.5235 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.889 |
| InChI Key: | XMCGSLYSEXYRAL-UHFFFAOYSA-N |