N-(2-ethyl-6-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2-ethyl-6-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0200 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1cc(c(c(c1)OC)OC)OC)=S)c1c(C)cccc1CC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3888 |
| logD: | 5.3888 |
| logSw: | -5.482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.193 |
| InChI Key: | VAZOJDQVJGPYNY-XMMPIXPASA-N |