4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0173 |
| Compound Name: | 4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C22 H18 N4 O2 S2 |
| Smiles: | COc1cccc(CSc2nnc3N(Cc4ccccc4)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.765 |
| logD: | 4.765 |
| logSw: | -4.5731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.874 |
| InChI Key: | HWTLMCKMEAXTNS-UHFFFAOYSA-N |