2-(thiophen-2-yl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(thiophen-2-yl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(thiophen-2-yl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0122 |
| Compound Name: | 2-(thiophen-2-yl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 496.94 |
| Molecular Formula: | C21 H19 F3 N6 O S |
| Salt: | HCl |
| Smiles: | C1CN(CCN1CC1=CC(n2c(N1)nc(c1cccs1)n2)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.5331 |
| logD: | 3.1618 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.352 |
| InChI Key: | ZOQLQBZTORCYFB-UHFFFAOYSA-N |