N-(2-ethyl-6-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2-ethyl-6-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0145 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 376.52 |
| Molecular Formula: | C22 H24 N4 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccncc1)=S)c1c(C)cccc1CC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5012 |
| logD: | 4.5003 |
| logSw: | -4.0444 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.6435 |
| InChI Key: | CPXSQUXKNTWJNW-OAQYLSRUSA-N |