5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0262 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 465.3 |
| Molecular Formula: | C17 H9 Br N2 O5 S2 |
| Smiles: | C1Oc2cc(/C=C3/C(N(C(=S)S3)c3ccc(cc3)[N+]([O-])=O)=O)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3101 |
| logD: | 4.3101 |
| logSw: | -4.4773 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.328 |
| InChI Key: | CAIBDSCUFVMHPZ-UHFFFAOYSA-N |