4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0169 |
| Compound Name: | 4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C23 H18 N4 O S2 |
| Smiles: | C=Cc1ccc(CSc2nnc3N(Cc4ccccc4)C(c4c(ccs4)n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0264 |
| logD: | 5.0264 |
| logSw: | -4.8001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | CPZNAEGKBDTEPM-UHFFFAOYSA-N |