1-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
1-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0181 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(c(c1)OC)OC)=S)c1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6444 |
| logD: | 4.6444 |
| logSw: | -4.4398 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8717 |
| InChI Key: | OWMKYDLSZUZKSG-OAQYLSRUSA-N |