N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide
Compound characteristics
| Compound ID: | 2110-0119 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C26 H26 N4 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CCCN1C(/C(=C/c2ccc(cc2)OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1303 |
| logD: | 2.0656 |
| logSw: | -2.6941 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.495 |
| InChI Key: | LTIVRYYXKABWIP-UHFFFAOYSA-N |