3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8014-5072 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C22 H22 N2 O3 S2 |
| Smiles: | CCN(CC)c1ccc(\C=C2/C(N(Cc3ccc4c(c3)OCO4)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0907 |
| logD: | 5.089 |
| logSw: | -4.9605 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 36.294 |
| InChI Key: | DHZKFUXNBBDWOX-UHFFFAOYSA-N |