5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 1611-4691 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C22 H17 N3 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0012 |
| logD: | 3.0012 |
| logSw: | -3.3565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.047 |
| InChI Key: | VIFGGFYHMDSOOJ-UHFFFAOYSA-N |