1-(pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
1-(pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
1-(pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0171 |
| Compound Name: | 1-(pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 402.44 |
| Molecular Formula: | C20 H17 F3 N4 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1cccnc1)=S)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5374 |
| logD: | 4.5317 |
| logSw: | -4.2224 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.1287 |
| InChI Key: | XMWCGERCARBTFD-GOSISDBHSA-N |