3-butyl-5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
3-butyl-5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
3-butyl-5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | Y501-9036 |
| Compound Name: | 3-butyl-5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C19 H22 N4 O S |
| Smiles: | CCCCN1C(/C(=C\c2c(C)nn(c3ccccc3)c2C)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5683 |
| logD: | 3.511 |
| logSw: | -3.6679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.176 |
| InChI Key: | YRPXSJIAVYYKQV-UHFFFAOYSA-N |