N-(3-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(3-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
Compound ID: | K416-0132 |
Compound Name: | N-(3-methylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
Molecular Weight: | 348.47 |
Molecular Formula: | C20 H20 N4 S |
Smiles: | [H]N(C(N1CCn2cccc2C1c1ccncc1)=S)c1cccc(C)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0307 |
logD: | 4.0297 |
logSw: | -3.8766 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 22.0391 |
InChI Key: | XRJLXOLJPIILBS-LJQANCHMSA-N |