5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0268 |
| Compound Name: | 5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 482.29 |
| Molecular Formula: | C16 H8 Br N3 O6 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1ccc(cc1)[N+]([O-])=O)=O)\c1cc(cc(c1O)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5257 |
| logD: | 1.6309 |
| logSw: | -4.3214 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.073 |
| InChI Key: | XPKXLEFIBHBPKU-UHFFFAOYSA-N |