3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | 1503-1363 |
| Compound Name: | 3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 513.04 |
| Molecular Formula: | C24 H21 Cl N4 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CCN1C(/C(=C\c2ccc(cc2)[Cl])SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9958 |
| logD: | 2.865 |
| logSw: | -3.818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.951 |
| InChI Key: | KRNNWQAOZWIDBP-UHFFFAOYSA-N |