2-chloro-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
2-chloro-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
2-chloro-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: | 4476-3194 |
| Compound Name: | 2-chloro-N-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide |
| Molecular Weight: | 562.02 |
| Molecular Formula: | C26 H16 Cl N5 O4 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)NC(c1ccccc1[Cl])=O)=O)\c1cn(c2ccccc2)nc1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1135 |
| logD: | 4.932 |
| logSw: | -5.4013 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.858 |
| InChI Key: | CQOUKKMTXNGUOA-UHFFFAOYSA-N |