3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-2024 |
| Compound Name: | 3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C18 H12 N2 O6 S2 |
| Smiles: | COc1ccc(cc1)N1C(/C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6778 |
| logD: | 3.6778 |
| logSw: | -4.1301 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 73.571 |
| InChI Key: | WSUWRGGDCJZGKT-UHFFFAOYSA-N |