N-(3-bromophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(3-bromophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0089 |
| Compound Name: | N-(3-bromophenyl)-1-(thiophen-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 418.38 |
| Molecular Formula: | C18 H16 Br N3 S2 |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1cccs1)=S)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2607 |
| logD: | 5.2607 |
| logSw: | -5.6019 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.6292 |
| InChI Key: | HVDSPBZQEKVQDR-KRWDZBQOSA-N |