4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-1,3-diazinan-1-yl}-2-fluoro-N-methylbenzamide
Chemical Structure Depiction of
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-1,3-diazinan-1-yl}-2-fluoro-N-methylbenzamide
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-1,3-diazinan-1-yl}-2-fluoro-N-methylbenzamide
Compound characteristics
| Compound ID: | H030-0004 |
| Compound Name: | 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-1,3-diazinan-1-yl}-2-fluoro-N-methylbenzamide |
| Molecular Weight: | 420.36 |
| Molecular Formula: | C20 H16 F4 N4 O2 |
| Smiles: | CNC(c1ccc(cc1F)N1CCCN(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4326 |
| logD: | 3.4326 |
| logSw: | -3.7894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.243 |
| InChI Key: | YQWQQDAOQIWZOV-UHFFFAOYSA-N |