4-[(3,4-diethoxyphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(3,4-diethoxyphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(3,4-diethoxyphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0539 |
| Compound Name: | 4-[(3,4-diethoxyphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C19 H20 N4 O3 S2 |
| Smiles: | CCOc1ccc(CN2C(c3c(ccs3)n3c2nnc3SC)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2899 |
| logSw: | -3.571 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.022 |
| InChI Key: | YVPLFYITZZHITE-UHFFFAOYSA-N |