N-(4-methoxyphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(4-methoxyphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0129 |
| Compound Name: | N-(4-methoxyphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccncc1)=S)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6531 |
| logD: | 3.6522 |
| logSw: | -3.8584 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.5829 |
| InChI Key: | KPSHAJGUZOJLER-LJQANCHMSA-N |