1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | V004-3869 |
| Compound Name: | 1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 485.35 |
| Molecular Formula: | C23 H19 Cl2 F N6 O |
| Salt: | not_available |
| Smiles: | C(C(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.5729 |
| logD: | 4.5707 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.521 |
| InChI Key: | CZXNNHXNUNPFPT-UHFFFAOYSA-N |