4-benzyl-1-{[(3-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(3-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[(3-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0157 |
| Compound Name: | 4-benzyl-1-{[(3-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H18 N4 O S2 |
| Smiles: | Cc1cccc(CSc2nnc3N(Cc4ccccc4)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3562 |
| logD: | 5.3562 |
| logSw: | -5.2827 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | QHTIKULUGSABKY-UHFFFAOYSA-N |