N-butyl-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-butyl-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0150 |
| Compound Name: | N-butyl-1-(pyridin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C17 H22 N4 S |
| Smiles: | [H]N(CCCC)C(N1CCn2cccc2C1c1cccnc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2923 |
| logD: | 3.2866 |
| logSw: | -3.1044 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.5639 |
| InChI Key: | CWOSFKBOIRDKQC-MRXNPFEDSA-N |