4-methyl-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
Chemical Structure Depiction of
4-methyl-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
4-methyl-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
Compound characteristics
| Compound ID: | 4476-2364 |
| Compound Name: | 4-methyl-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C27 H19 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)C(NN1C(/C(=C/c2cn(c3ccccc3)nc2c2cccc(c2)[N+]([O-])=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2285 |
| logD: | 5.197 |
| logSw: | -5.0391 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.858 |
| InChI Key: | BIDHIYOYWKNWFP-UHFFFAOYSA-N |