5-[(4-bromo-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(4-bromo-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(4-bromo-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2151-0081 |
| Compound Name: | 5-[(4-bromo-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 466.29 |
| Molecular Formula: | C16 H8 Br N3 O5 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1ccc(cc1)[N+]([O-])=O)=O)\c1ccc(c(c1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3875 |
| logD: | 4.3875 |
| logSw: | -4.5228 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 82.293 |
| InChI Key: | YRAYZWGBGGOQNG-UHFFFAOYSA-N |