1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0135 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methylthieno[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: | Cc1ccc(C)c(CSc2nnc3N(C)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0973 |
| logD: | 4.0973 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.368 |
| InChI Key: | XRUGOSHBLBBWLG-UHFFFAOYSA-N |