5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-0493 |
| Compound Name: | 5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 389.24 |
| Molecular Formula: | C12 H9 Br N2 O4 S2 |
| Smiles: | CCN1C(/C(=C\c2cc(cc(c2O)[N+]([O-])=O)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0429 |
| logD: | 2.0557 |
| logSw: | -4.1289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.998 |
| InChI Key: | QKTMUWKTLNSLOT-UHFFFAOYSA-N |