N-butyl-1-(4-ethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-1-(4-ethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-butyl-1-(4-ethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0063 |
| Compound Name: | N-butyl-1-(4-ethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 357.52 |
| Molecular Formula: | C20 H27 N3 O S |
| Smiles: | [H]N(CCCC)C(N1CCn2cccc2C1c1ccc(cc1)OCC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.825 |
| logD: | 4.825 |
| logSw: | -4.3042 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.1696 |
| InChI Key: | UNXLLQCTQIOHFB-LJQANCHMSA-N |