N-(3-bromophenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
Compound ID: | K416-0011 |
Compound Name: | N-(3-bromophenyl)-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
Molecular Weight: | 430.34 |
Molecular Formula: | C20 H17 Br F N3 S |
Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(cc1)F)=S)c1cccc(c1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6656 |
logD: | 5.6656 |
logSw: | -6.1573 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 12.6109 |
InChI Key: | XDDCEHSXZIYQLG-LJQANCHMSA-N |