N-(2-methylphenyl)-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-methylphenyl)-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2-methylphenyl)-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
Compound ID: | K416-0155 |
Compound Name: | N-(2-methylphenyl)-1-(pyridin-3-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(N1CCn2cccc2C1c1cccnc1)=S)c1ccccc1C |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8032 |
logD: | 3.7975 |
logSw: | -3.6711 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 21.4309 |
InChI Key: | PTNATTXCMMVODQ-LJQANCHMSA-N |