4-[(oxolan-2-yl)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-[(oxolan-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(oxolan-2-yl)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: | F401-0553 |
| Compound Name: | 4-[(oxolan-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C20 H17 F3 N4 O2 S2 |
| Smiles: | C1CC(CN2C(c3c(ccs3)n3c2nnc3SCc2cccc(c2)C(F)(F)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9091 |
| logD: | 3.9091 |
| logSw: | -4.1397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.985 |
| InChI Key: | BFNJNVQFSOSZMD-CQSZACIVSA-N |