1-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-chlorophenyl)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: | F401-0509 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 483.01 |
| Molecular Formula: | C23 H19 Cl N4 O2 S2 |
| Smiles: | CCOc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7051 |
| logD: | 5.7051 |
| logSw: | -5.6926 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.541 |
| InChI Key: | QWLIFNQKVBJLOB-UHFFFAOYSA-N |