4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methylphenyl)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-methylphenyl)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-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0276 |
| Compound Name: | 4-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | Cc1ccccc1CSc1nnc2N(CCc3ccc(c(c3)OC)OC)C(c3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1259 |
| logD: | 5.1259 |
| logSw: | -4.9562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.57 |
| InChI Key: | ITHIIHMTGKWABB-UHFFFAOYSA-N |