N-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
N-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | 4476-2367 |
| Compound Name: | N-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide |
| Molecular Weight: | 585.66 |
| Molecular Formula: | C29 H23 N5 O5 S2 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)c1c(/C=C2/C(N(C(=S)S2)NC(c2ccc(C)cc2)=O)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2445 |
| logD: | 5.213 |
| logSw: | -4.9899 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.767 |
| InChI Key: | SRELMPAYDIMAPZ-UHFFFAOYSA-N |