1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)methyl]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-[(4-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0503 |
| Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C25 H22 N4 O S2 |
| Smiles: | CCc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2ccc(C=C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9571 |
| logD: | 5.9571 |
| logSw: | -5.459 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | IDAUPKVJUZSGNT-UHFFFAOYSA-N |