N-butyl-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-butyl-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0078 |
| Compound Name: | N-butyl-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 319.49 |
| Molecular Formula: | C16 H21 N3 S2 |
| Smiles: | [H]N(CCCC)C(N1CCn2cccc2C1c1cccs1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0802 |
| logD: | 4.0802 |
| logSw: | -4.005 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.0644 |
| InChI Key: | PKYVVWGVQNAYGC-HNNXBMFYSA-N |