1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[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-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0453 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C21 H18 N4 O S3 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(Cc4cccs4)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5935 |
| logD: | 5.5935 |
| logSw: | -5.2938 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.349 |
| InChI Key: | HHGIPLWJFHASHZ-UHFFFAOYSA-N |