1-(2-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
1-(2-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
1-(2-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0045 |
| Compound Name: | 1-(2-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C21 H17 F4 N3 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccccc1F)=S)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0583 |
| logD: | 6.0583 |
| logSw: | -6.4097 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.6109 |
| InChI Key: | KUVZRSPXHQFMGB-LJQANCHMSA-N |