5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3643-0617 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C23 H20 N2 O4 S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.321 |
| logD: | 4.321 |
| logSw: | -4.363 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.593 |
| InChI Key: | MDEJJIJIKPEMRU-UHFFFAOYSA-N |