3-ethyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-ethyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-ethyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-1662 |
| Compound Name: | 3-ethyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C13 H10 N2 O5 S2 |
| Smiles: | CCN1C(/C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8565 |
| logD: | 2.8565 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.635 |
| InChI Key: | UCDJRNAFZAEBRB-UHFFFAOYSA-N |