5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0259 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C17 H10 N2 O5 S2 |
| Smiles: | C1Oc2ccc(/C=C3/C(N(C(=S)S3)c3ccc(cc3)[N+]([O-])=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.7683 |
| logD: | 3.7683 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.328 |
| InChI Key: | KIOCLPDBZDWHPK-UHFFFAOYSA-N |