4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
Chemical Structure Depiction of
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
Compound characteristics
| Compound ID: | H030-0023 |
| Compound Name: | 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide |
| Molecular Weight: | 524.49 |
| Molecular Formula: | C23 H20 F4 N4 O4 S |
| Smiles: | CNC(c1ccc(cc1F)N1C(N(C(C1(COC)COC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3115 |
| logD: | 2.3115 |
| logSw: | -2.9938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.842 |
| InChI Key: | FLLOPPTVZCLJSC-UHFFFAOYSA-N |