1-{[(2,5-dimethylphenyl)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-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)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: | F401-0513 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C25 H24 N4 O2 S2 |
| Smiles: | CCOc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2772 |
| logD: | 6.2772 |
| logSw: | -5.3997 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.541 |
| InChI Key: | BCKBQXFDNPABIN-UHFFFAOYSA-N |