6-bromo-8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
6-bromo-8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0588 |
| Compound Name: | 6-bromo-8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C19 H15 Br O6 S |
| Smiles: | Cc1ccc(cc1)S(CC(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4916 |
| logD: | 3.4916 |
| logSw: | -3.8331 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.487 |
| InChI Key: | DFJWKBRFZXQHLY-UHFFFAOYSA-N |