5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3128-9257 |
| Compound Name: | 5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C21 H16 N4 O4 S2 |
| Smiles: | Cc1cc(/C=C2/C(NC(=S)S2)=O)c(C)n1c1ccc(cc1)Oc1ccc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9539 |
| logD: | 2.2285 |
| logSw: | -3.5254 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.732 |
| InChI Key: | NAGQPFSBFSLRIW-UHFFFAOYSA-N |