4-[(4-ethylphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(4-ethylphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(4-ethylphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0505 |
| Compound Name: | 4-[(4-ethylphenyl)methyl]-1-(methylsulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C17 H16 N4 O S2 |
| Smiles: | CCc1ccc(CN2C(c3c(ccs3)n3c2nnc3SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1563 |
| logD: | 4.1563 |
| logSw: | -4.0336 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.602 |
| InChI Key: | KMQBDJSPOFMXOD-UHFFFAOYSA-N |