1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0074 |
| Compound Name: | 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C25 H29 N3 O S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(cc1)OCC)=S)c1c(C)cccc1CC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0279 |
| logD: | 6.0279 |
| logSw: | -5.6405 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.3388 |
| InChI Key: | OMPIDOJPRKLRQC-XMMPIXPASA-N |