4-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0248 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H17 F N4 O2 S2 |
| Smiles: | COc1cccc(CSc2nnc3N(Cc4ccc(cc4)F)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.794 |
| logD: | 4.794 |
| logSw: | -4.6614 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.874 |
| InChI Key: | HDILACLXRITYQF-UHFFFAOYSA-N |