6-bromo-8-methoxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-8-methoxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-bromo-8-methoxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1052 |
| Compound Name: | 6-bromo-8-methoxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 425.25 |
| Molecular Formula: | C17 H13 Br O6 S |
| Smiles: | COc1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)OC)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6552 |
| logD: | 3.6552 |
| logSw: | -4.0583 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.519 |
| InChI Key: | XHBBOKQRKPBPSP-UHFFFAOYSA-N |