3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2562-8787 |
| Compound Name: | 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C21 H16 N4 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(/C(=C/c2cccc(c2)[N+]([O-])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9128 |
| logD: | 2.9128 |
| logSw: | -3.4356 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 69.313 |
| InChI Key: | LRQDKGUASBBKFA-UHFFFAOYSA-N |