N-(2,5-dimethylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2,5-dimethylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0142 |
| Compound Name: | N-(2,5-dimethylphenyl)-1-(pyridin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 362.5 |
| Molecular Formula: | C21 H22 N4 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccncc1)=S)c1cc(C)ccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0556 |
| logD: | 4.0546 |
| logSw: | -3.8237 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.3413 |
| InChI Key: | WPBZUJPADGTJNF-HXUWFJFHSA-N |