1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0069 |
| Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6657 |
| logD: | 4.6657 |
| logSw: | -4.2815 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.602 |
| InChI Key: | VCXKUQZYIGDYCE-UHFFFAOYSA-N |