1-(2,5-dimethoxyphenyl)-N-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-N-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
1-(2,5-dimethoxyphenyl)-N-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0046 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-N-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | [H]N(C)C(N1CCn2cccc2C1c1cc(ccc1OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1277 |
| logD: | 3.1277 |
| logSw: | -3.2904 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.5292 |
| InChI Key: | RPACCAICIOFFGJ-MRXNPFEDSA-N |