5-[(2,4-dimethylanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethylanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethylanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0106 |
| Compound Name: | 5-[(2,4-dimethylanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C20 H18 F N5 O |
| Smiles: | Cc1ccc(c(C)c1)NCC1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0793 |
| logD: | 3.8757 |
| logSw: | -4.1808 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.877 |
| InChI Key: | LSJYXWBRQJPCLO-UHFFFAOYSA-N |