5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3643-0625 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C19 H21 N3 O4 S2 |
| Smiles: | CN1CCN(CC1)C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7125 |
| logD: | 1.4656 |
| logSw: | -2.4182 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 53.405 |
| InChI Key: | YWORBNDUTHMIAB-UHFFFAOYSA-N |