N-(3-bromophenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(3-bromophenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0041 |
| Compound Name: | N-(3-bromophenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 430.34 |
| Molecular Formula: | C20 H17 Br F N3 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccccc1F)=S)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8231 |
| logD: | 5.8231 |
| logSw: | -6.2225 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.6109 |
| InChI Key: | TYCLWAZPQAEZEO-LJQANCHMSA-N |