N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0182 |
| Compound Name: | N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 472.4 |
| Molecular Formula: | C22 H22 Br N3 O2 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(c(c1)OC)OC)=S)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2991 |
| logD: | 5.2991 |
| logSw: | -5.508 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8717 |
| InChI Key: | YMABWZDZSBPIID-OAQYLSRUSA-N |