1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-7876 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C24 H20 Cl F N4 O2 S2 |
| Smiles: | CCCOc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2c(cccc2[Cl])F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.418 |
| logD: | 6.418 |
| logSw: | -6.1811 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.748 |
| InChI Key: | TXOVVNIDGUGKAW-UHFFFAOYSA-N |