N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
Compound ID: | K416-0014 |
Compound Name: | N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
Molecular Weight: | 393.53 |
Molecular Formula: | C23 H24 F N3 S |
Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(cc1)F)=S)c1c(C)cccc1CC |
Stereo: | RACEMIC MIXTURE |
logP: | 5.688 |
logD: | 5.688 |
logSw: | -5.6864 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 11.2152 |
InChI Key: | IUXNBRMLCIZXBE-JOCHJYFZSA-N |