N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0192 |
| Compound Name: | N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1cc(c(c(c1)OC)OC)OC)=S)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5407 |
| logD: | 4.5407 |
| logSw: | -4.2524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.132 |
| InChI Key: | DZFAASXYSJJSCP-JOCHJYFZSA-N |