1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)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-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0520 |
| Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C25 H22 N4 O2 S2 |
| Smiles: | CCOc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3665 |
| logD: | 5.3665 |
| logSw: | -5.3517 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.541 |
| InChI Key: | AUQYZFUULCLGHM-UHFFFAOYSA-N |