4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0285 |
| Compound Name: | 4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(CCc4ccc(c(c4)OC)OC)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5533 |
| logD: | 5.5533 |
| logSw: | -5.2934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.57 |
| InChI Key: | ZWTPMLUGLQAKJI-UHFFFAOYSA-N |