2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C118-0391 |
Compound Name: | 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 383.49 |
Molecular Formula: | C18 H17 N5 O S2 |
Smiles: | [H]N([H])C(C1C(c2cccs2)n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7046 |
logD: | 2.7023 |
logSw: | -3.045 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 70.577 |
InChI Key: | SGXXHDBGFJZNKY-HNNXBMFYSA-N |