3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Chemical Structure Depiction of
3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Compound characteristics
| Compound ID: | 0083-0096 |
| Compound Name: | 3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione |
| Molecular Weight: | 624.39 |
| Molecular Formula: | C27 H28 Br2 O5 S |
| Smiles: | CC(C)c1cc(c(C)c(c1O)[Br])C1(c2ccccc2S(=O)(=O)O1)c1cc(C(C)C)c(c(c1C)[Br])O |
| Stereo: | ACHIRAL |
| logP: | 8.2169 |
| logD: | 8.2087 |
| logSw: | -5.8125 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.644 |
| InChI Key: | NUHCTOLBWMJMLX-UHFFFAOYSA-N |