N-ethyl-1-(4-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-1-(4-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-ethyl-1-(4-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0017 |
| Compound Name: | N-ethyl-1-(4-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 315.44 |
| Molecular Formula: | C17 H21 N3 O S |
| Smiles: | [H]N(CC)C(N1CCn2cccc2C1c1ccc(cc1)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.351 |
| logD: | 3.351 |
| logSw: | -3.3968 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.3741 |
| InChI Key: | GACMZJRNOJJWGV-MRXNPFEDSA-N |