3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3643-0613 |
| Compound Name: | 3-[3-(azepan-1-yl)-3-oxopropyl]-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | C1CCCN(CC1)C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3904 |
| logD: | 3.3904 |
| logSw: | -3.7268 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 50.26 |
| InChI Key: | IOLMXHXVEDJFHY-UHFFFAOYSA-N |