1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0294 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C24 H20 Cl F N4 O3 S2 |
| Smiles: | COc1ccc(CCN2C(c3c(ccs3)n3c2nnc3SCc2ccc(cc2[Cl])F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2254 |
| logD: | 5.2254 |
| logSw: | -5.716 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.57 |
| InChI Key: | PMLLSXXIHCXIJJ-UHFFFAOYSA-N |