N-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
N-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | 3232-0783 |
| Compound Name: | N-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide |
| Molecular Weight: | 464.31 |
| Molecular Formula: | C17 H10 Br N3 O4 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)NC(c1ccccc1[N+]([O-])=O)=O)=O)\c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5525 |
| logD: | 2.3021 |
| logSw: | -4.0632 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.924 |
| InChI Key: | QUEXFYZBBOPFKA-UHFFFAOYSA-N |