1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2-phenylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2-phenylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2-phenylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0415 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2-phenylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 485 |
| Molecular Formula: | C23 H18 Cl F N4 O S2 |
| Smiles: | CC(CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1[Cl])F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4874 |
| logD: | 6.4874 |
| logSw: | -6.1576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | XLTAMPXODNHEPY-AWEZNQCLSA-N |