4-[(4-chlorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0382 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 506.95 |
| Molecular Formula: | C22 H14 Cl F3 N4 O S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0611 |
| logD: | 6.0611 |
| logSw: | -6.4717 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | PPIBLAQIPXIOES-UHFFFAOYSA-N |