N-(2-ethyl-6-methylphenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(2-ethyl-6-methylphenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0044 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C23 H24 F N3 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccccc1F)=S)c1c(C)cccc1CC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8456 |
| logD: | 5.8456 |
| logSw: | -5.7727 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.2152 |
| InChI Key: | LWRWFGNHWVUTGX-JOCHJYFZSA-N |