4-(4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-(4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
4-(4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | H030-0021 |
| Compound Name: | 4-(4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 313.3 |
| Molecular Formula: | C13 H10 F3 N3 O S |
| Smiles: | CC1(C)C(N(C(N1)=S)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.133 |
| logD: | 2.1329 |
| logSw: | -3.1263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.402 |
| InChI Key: | FUHSAPKUKZPRCD-UHFFFAOYSA-N |