6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0584 |
| Compound Name: | 6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.35 |
| Molecular Formula: | C21 H19 Br O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC(C1=Cc2cc(ccc2OC1=O)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7073 |
| logD: | 4.7073 |
| logSw: | -4.6449 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | NIXHJJQJCBXPRT-UHFFFAOYSA-N |