2-{[(thiophen-2-yl)methyl]amino}-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)methyl]amino}-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(thiophen-2-yl)methyl]amino}-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0556 |
| Compound Name: | 2-{[(thiophen-2-yl)methyl]amino}-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C22 H22 F3 N7 O S |
| Smiles: | C(c1cccs1)Nc1nc2NC(CN3CCN(CC3)c3cccc(c3)C(F)(F)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2052 |
| logD: | 2.8395 |
| logSw: | -3.4179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.992 |
| InChI Key: | VEAAYQQVVNZTAG-UHFFFAOYSA-N |