3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3793-5419 |
| Compound Name: | 3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C21 H26 N2 O3 S2 |
| Smiles: | CCOc1ccc(/C=C2/C(N(CCC(N3CCCCCC3)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8626 |
| logD: | 3.8626 |
| logSw: | -3.8146 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 40.268 |
| InChI Key: | BBWRBJAOJXBZAG-UHFFFAOYSA-N |