N-(4-nitrophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(4-nitrophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
Compound ID: | K416-0091 |
Compound Name: | N-(4-nitrophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
Molecular Weight: | 384.48 |
Molecular Formula: | C18 H16 N4 O2 S2 |
Smiles: | [H]N(C(N1CCn2cccc2C1c1cccs1)=S)c1ccc(cc1)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3783 |
logD: | 4.3783 |
logSw: | -4.3408 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.011 |
InChI Key: | JUNUWBWUOZFSTD-KRWDZBQOSA-N |