1-{[(2-chlorophenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0127 |
| Compound Name: | 1-{[(2-chlorophenyl)methyl]sulfanyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 362.86 |
| Molecular Formula: | C15 H11 Cl N4 O S2 |
| Smiles: | CN1C(c2c(ccs2)n2c1nnc2SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5285 |
| logD: | 3.5285 |
| logSw: | -3.6395 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.368 |
| InChI Key: | QALUGDCJSPVNAD-UHFFFAOYSA-N |