3-(4-bromobenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
3-(4-bromobenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0077 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 395.23 |
| Molecular Formula: | C16 H11 Br O5 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)S(c2ccc(cc2)[Br])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6166 |
| logD: | 3.6166 |
| logSw: | -3.9583 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | DDPANLPHRZSCHZ-UHFFFAOYSA-N |