5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0305 |
| Compound Name: | 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 428.36 |
| Molecular Formula: | C17 H18 Br N O3 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C3CCCCC3)C(=S)S2)=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4204 |
| logD: | 4.3427 |
| logSw: | -4.1206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.773 |
| InChI Key: | BQNSIIWSAGDWIQ-UHFFFAOYSA-N |