2-(thiophen-2-yl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(thiophen-2-yl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(thiophen-2-yl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0135 |
| Compound Name: | 2-(thiophen-2-yl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 391.37 |
| Molecular Formula: | C17 H12 F3 N5 O S |
| Smiles: | C(C1=CC(n2c(N1)nc(c1cccs1)n2)=O)Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9061 |
| logD: | 3.6155 |
| logSw: | -4.2132 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.593 |
| InChI Key: | PMJFPRFUEJJFNM-UHFFFAOYSA-N |