N-tert-butyl-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-tert-butyl-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-tert-butyl-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0175 |
| Compound Name: | N-tert-butyl-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(c(c1)OC)OC)=S)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0571 |
| logD: | 4.0571 |
| logSw: | -4.1241 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.2892 |
| InChI Key: | OOMJVCVVOMJRCI-GOSISDBHSA-N |