4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-2778 |
| Compound Name: | 4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C23 H23 F3 N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5819 |
| logD: | 2.5819 |
| logSw: | -3.0486 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.415 |
| InChI Key: | ROJIDWDRRGAKJT-UHFFFAOYSA-N |