1-{[(2-methylphenyl)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-methylphenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-methylphenyl)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: | F401-0444 |
| Compound Name: | 1-{[(2-methylphenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C20 H16 N4 O S3 |
| Smiles: | Cc1ccccc1CSc1nnc2N(Cc3cccs3)C(c3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1662 |
| logD: | 5.1662 |
| logSw: | -4.9298 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.349 |
| InChI Key: | BIEQJOFOSXQNOI-UHFFFAOYSA-N |